Research chemical
CAS Number: 1000852-27-6
phosphanyl}oxy)propyl]-4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide molecular structure, CAS 1000852-27-6](/structure-images/1000852-27-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
135010561
Exact Mass
571.281123
InChIKey
MHLTTXDABHJESN-ZHACJKMWSA-N
IUPAC Name
N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
SMILES String
COc1cc(/C=C/c2ccc(C(=O)NCCCOP(OCCC#N)N(C(C)C)C(C)C)cc2)cc(OC)c1OC
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
N-[3-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)propyl]-4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide is identified by CAS 1000852-27-6, with molecular formula C30H42N3O6P, molecular weight 571.6, InChIKey MHLTTXDABHJESN-ZHACJKMWSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
5.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
17
Ring count
2
Aromatic rings
2
Topological polar surface area
102.28 Ų
Computed LogP
6.3
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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.
Structural features
N-[3-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)propyl]-4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide (CAS 1000852-27-6) is an English MolGraph catalog reference, molecular formula C30H42N3O6P and molecular weight 571. 60 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, synthetic chemistry 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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.