Sampatrilat
TL;DR: Sampatrilat (CAS 91-45-2) is a chemical compound with molecular formula C26H40N4O9S and molecular weight 584.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-4-[1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclopentyl]butanoic acid
Also Known As: Sampatrilat, UK 81252, UK 81,252, N-(1-(2-Carboxy-3-(N(2)-mesyllysylamino)propyl)-1-cyclopentylcarbonyl)tyrosine, (3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-4-[1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]cyclopentyl]butanoic acid
| Molecular Formula | C26H40N4O9S |
|---|---|
| Molecular Weight | 584.25 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 584.2516 |
| Heavy Atoms | 40 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 91-45-2 |
|---|---|
| SMILES | CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)CC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O |
| InChIKey | DGTDHMSPXWLPNJ-JBACZVJFSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sampatrilat (CAS 91-45-2), with molecular formula C26H40N4O9S and molecular weight 584.25 g/mol. IUPAC: (3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-4-[1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclopentyl]butanoic acid.
Chemical Property Profile of Sampatrilat
Property Insights of Sampatrilat
The XLogP value of -1.6 indicates that Sampatrilat is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting Sampatrilat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sampatrilat has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sampatrilat?
The CAS number of Sampatrilat is 91-45-2.
What is the molecular formula of Sampatrilat?
The molecular formula of Sampatrilat is C26H40N4O9S.
What is the molecular weight of Sampatrilat?
The molecular weight of Sampatrilat is 584.25 g/mol.
Where can I buy Sampatrilat?
You can request a quote for Sampatrilat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sampatrilat?
Yes, KEHONG BIO provides custom synthesis services for Sampatrilat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.