Carbenin
TL;DR: Carbenin (CAS 138240-65-0) is a chemical compound with molecular formula C25H32N4O7S and molecular weight 532.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzamidopropanoic acid;(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Carbenin, Papm-BP, Panipenem-betamipron, Carbenin (TN), Panipenem mixture with betamipron
| Molecular Formula | C25H32N4O7S |
|---|---|
| Molecular Weight | 532.20 g/mol |
| LogP | 1.59 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.19916 |
| Heavy Atoms | 37 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 138240-65-0 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3CCN(C3)C(=N)C)O.C1=CC=C(C=C1)C(=O)NCCC(=O)O |
| InChIKey | JQWGVORAFCVYJN-TXVDJMPOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbenin (CAS 138240-65-0), with molecular formula C25H32N4O7S and molecular weight 532.20 g/mol. IUPAC: 3-benzamidopropanoic acid;(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of Carbenin
Property Insights of Carbenin
The XLogP value of 1.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbenin. The TPSA of 197.0 Ų indicates high polarity, suggesting Carbenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbenin has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbenin?
The CAS number of Carbenin is 138240-65-0.
What is the molecular formula of Carbenin?
The molecular formula of Carbenin is C25H32N4O7S.
What is the molecular weight of Carbenin?
The molecular weight of Carbenin is 532.20 g/mol.
Where can I buy Carbenin?
You can request a quote for Carbenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbenin?
Yes, KEHONG BIO provides custom synthesis services for Carbenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.