Research chemical
CAS Number: 845958-55-6
phosphoryl}acetyl)pyrrolidine-2-carboxylic acid molecular structure, CAS 845958-55-6](/structure-images/845958-55-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
6708482
Exact Mass
563.30119
InChIKey
BIDNLKIUORFRQP-AJTMIRJTSA-N
IUPAC Name
(2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
SMILES String
CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(2S,4S)-4-cyclohexyl-1-(2-{[(1S)-2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)pyrrolidine-2-carboxylic acid is identified by CAS 845958-55-6, with molecular formula C30H46NO7P, molecular weight 563.7, InChIKey BIDNLKIUORFRQP-AJTMIRJTSA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
39
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
14
Ring count
3
Aromatic rings
1
Topological polar surface area
110.21 Ų
Computed LogP
6.12
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
(2S,4S)-4-cyclohexyl-1-(2-{[(1S)-2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)pyrrolidine-2-carboxylic acid (CAS 845958-55-6) is maintained as a commercial cas reference with formula C30H46NO7P, molecular weight 563.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.