Research chemical

[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]oxyethyl] benzoate

CAS Number: 1120329-51-2

Chemical structure
[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]oxyethyl] benzoate molecular structure, CAS 1120329-51-2

Product details

Identity & specification

Molecular formula
C45H41N5O8
Molecular weight
779.8 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

168435231

Exact Mass

779.295513

InChIKey

XJEWSDBNCLUBMJ-ZESVVUHVSA-N

SMILES String

COc1ccc(C(OC[C@H](CO)O[C@H](COC(=O)c2ccccc2)n2cnc3c(NC(=O)c4ccccc4)ncnc32)(c2ccccc2)c2ccc(OC)cc2)cc1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

58

H-bond acceptors

13

H-bond donors

2

Rotatable bonds

17

Ring count

7

Aromatic rings

7

Topological polar surface area

156.15 Ų

Computed LogP

6.84

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

No

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]oxyethyl] benzoate (CAS 1120329-51-2) is maintained as a cataloged research chemical with formula C45H41N5O8, molecular weight 779.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.

Applications & Classification

Supplier Catalog SourcingCommercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for [(2R)-2-(6-benzamidopurin-9-yl)-2-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]oxyethyl] benzoate (CAS 1120329-51-2)?

[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]oxyethyl] benzoate is identified by CAS 1120329-51-2, with molecular formula C45H41N5O8, molecular weight 779.8, InChIKey XJEWSDBNCLUBMJ-ZESVVUHVSA-N.

Can I request a COA for CAS 1120329-51-2?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for [(2R)-2-(6-benzamidopurin-9-yl)-2-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]oxyethyl] benzoate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1120329-51-2 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.