Carafiban
TL;DR: Carafiban (CAS 177563-40-5) is a chemical compound with molecular formula C24H27N5O5 and molecular weight 465.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-3-[[2-[(4S)-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
Also Known As: Carafiban, Carafiban [INN], Acetamide,2-chloro-N-(2-cyanoethyl), J1.173.216J, ethyl (3S)-3-[[2-[(4S)-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
| Molecular Formula | C24H27N5O5 |
|---|---|
| Molecular Weight | 465.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 465.20123 |
| Heavy Atoms | 34 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 177563-40-5 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)CN2C(=O)[C@](NC2=O)(C)C3=CC=C(C=C3)C(=N)N |
| InChIKey | SSGOEPXWNBXKPQ-UUOWRZLLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carafiban (CAS 177563-40-5), with molecular formula C24H27N5O5 and molecular weight 465.20 g/mol. IUPAC: ethyl (3S)-3-[[2-[(4S)-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate.
Chemical Property Profile of Carafiban
Property Insights of Carafiban
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carafiban. The TPSA of 155.0 Ų indicates high polarity, suggesting Carafiban may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carafiban has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carafiban?
The CAS number of Carafiban is 177563-40-5.
What is the molecular formula of Carafiban?
The molecular formula of Carafiban is C24H27N5O5.
What is the molecular weight of Carafiban?
The molecular weight of Carafiban is 465.20 g/mol.
Where can I buy Carafiban?
You can request a quote for Carafiban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carafiban?
Yes, KEHONG BIO provides custom synthesis services for Carafiban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.