乌苯美司
TL;DR: 乌苯美司 (CAS 58970-76-6) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乌苯美司
2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid
Also Known As: Bestatin, Ubenimex, Bestatin;Ubenimex, L-Leucine, [S-(R*,S*)]-, NCI60_002133
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 58970-76-6 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O |
| InChIKey | VGGGPCQERPFHOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乌苯美司 (CAS 58970-76-6), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid.
Chemical Property Profile of 乌苯美司
Property Insights of 乌苯美司
The XLogP value of -1.0 indicates that 乌苯美司 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乌苯美司. Following Lipinski's Rule of Five, 乌苯美司 has 4 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 乌苯美司?
The CAS number of 乌苯美司 is 58970-76-6.
What is the molecular formula of 乌苯美司?
The molecular formula of 乌苯美司 is C16H24N2O4.
What is the molecular weight of 乌苯美司?
The molecular weight of 乌苯美司 is 308.17 g/mol.
Where can I buy 乌苯美司?
You can request a quote for 乌苯美司 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乌苯美司?
Yes, KEHONG BIO provides custom synthesis services for 乌苯美司 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.