Research chemical
Ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate
CAS Number: 1005270-17-6
Product details
Identity & specification
- Molecular formula
- C22H31NO6
- Molecular weight
- 405.5 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
3578629
Exact Mass
405.215138
InChIKey
BRQQPZMKNJUDNH-UHFFFAOYSA-N
SMILES String
CC(C)(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)(C)C)C1c1cccnc1
Physical Properties
No physical property values available.
Show more physical data
XLogP
2.4
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
29
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
3
Ring count
2
Aromatic rings
1
Topological polar surface area
102.79 Ų
Computed LogP
2.8
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
Ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate (CAS 1005270-17-6) is an English MolGraph catalog reference, molecular formula C22H31NO6 and molecular weight 405. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, bioactivity screening workflows, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Applications & Classification
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.
Catalog navigation
Related Catalog Entries
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 Ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate (CAS 1005270-17-6)?
Ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate is identified by CAS 1005270-17-6, with molecular formula C22H31NO6, molecular weight 405.5, InChIKey BRQQPZMKNJUDNH-UHFFFAOYSA-N.
Can I request a COA for CAS 1005270-17-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1005270-17-6 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.