Xemilofiban acid
TL;DR: Xemilofiban acid (CAS 149193-61-3) is a chemical compound with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Xemilofiban acid
(3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoic acid
Also Known As: Xemilofiban acid, Xemilofiban acid [MI], J1.030.781C, 4-Pentynoic acid, 3-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-, (3S)-, (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoic acid
| Molecular Formula | C16H18N4O4 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 0.28207 |
| Topological Polar Surface Area | 145.37 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.1328 |
| Heavy Atoms | 24 |
| Complexity | 676.313 |
Chemical Identifiers
| CAS Number | 149193-61-3 |
|---|---|
| SMILES | C#C[C@H](CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N |
Product Overview
Xemilofiban acid (CAS 149193-61-3), with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol. IUPAC: (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoic acid.
Chemical Property Profile of Xemilofiban acid
Property Insights of Xemilofiban acid
The XLogP value of 0.28207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xemilofiban acid. The TPSA of 145.37 Ų indicates high polarity, suggesting Xemilofiban acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xemilofiban acid has 5 hydrogen bond donor(s) and 4 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 Xemilofiban acid?
The CAS number of Xemilofiban acid is 149193-61-3.
What is the molecular formula of Xemilofiban acid?
The molecular formula of Xemilofiban acid is C16H18N4O4.
What is the molecular weight of Xemilofiban acid?
The molecular weight of Xemilofiban acid is 330.13 g/mol.
Where can I buy Xemilofiban acid?
You can request a quote for Xemilofiban acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xemilofiban acid?
Yes, KEHONG BIO provides custom synthesis services for Xemilofiban acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.