Des-ethyl-carafiban
TL;DR: Des-ethyl-carafiban (CAS 170565-45-4) is a chemical compound with molecular formula C22H23N5O5 and molecular weight 437.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[2-[(4S)-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid
Also Known As: Des-ethyl-carafiban, des-ethyl- Carafiban, (3S)-3-{2-[(4S)-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamido}-3-phenylpropanoic acid, 3-{2-[4-(4-Carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-3-phenyl-propionic acid, (betaS)-beta-[[[4alpha-Methyl-4-(4-amidinophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzenepropanoic acid
| Molecular Formula | C22H23N5O5 |
|---|---|
| Molecular Weight | 437.17 g/mol |
| LogP | 1.06987 |
| Topological Polar Surface Area | 165.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.16992 |
| Heavy Atoms | 32 |
| Complexity | 1069.8789 |
Chemical Identifiers
| CAS Number | 170565-45-4 |
|---|---|
| SMILES | C[C@@]1(C(=O)N(C(=O)N1)CC(=O)N[C@@H](CC(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N |
Product Overview
Des-ethyl-carafiban (CAS 170565-45-4), with molecular formula C22H23N5O5 and molecular weight 437.17 g/mol. IUPAC: (3S)-3-[[2-[(4S)-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Des-ethyl-carafiban
Property Insights of Des-ethyl-carafiban
The XLogP value of 1.06987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Des-ethyl-carafiban. The TPSA of 165.68 Ų indicates high polarity, suggesting Des-ethyl-carafiban may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Des-ethyl-carafiban has 5 hydrogen bond donor(s) and 5 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 Des-ethyl-carafiban?
The CAS number of Des-ethyl-carafiban is 170565-45-4.
What is the molecular formula of Des-ethyl-carafiban?
The molecular formula of Des-ethyl-carafiban is C22H23N5O5.
What is the molecular weight of Des-ethyl-carafiban?
The molecular weight of Des-ethyl-carafiban is 437.17 g/mol.
Where can I buy Des-ethyl-carafiban?
You can request a quote for Des-ethyl-carafiban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Des-ethyl-carafiban?
Yes, KEHONG BIO provides custom synthesis services for Des-ethyl-carafiban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.