![(S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid structure](/static/products/958/958952-08-4.png)
(S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid
TL;DR: (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid (CAS 958952-08-4) is a chemical compound with molecular formula C13H19N3O5S and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
Also Known As: (2S,3R)-3-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoic acid, (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid
| Molecular Formula | C13H19N3O5S |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 0.9548 |
| Topological Polar Surface Area | 138.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.10455 |
| Heavy Atoms | 22 |
| Complexity | 642.14435 |
Chemical Identifiers
| CAS Number | 958952-08-4 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N |
Product Overview
(S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid (CAS 958952-08-4), with molecular formula C13H19N3O5S and molecular weight 329.10 g/mol. IUPAC: (2S)-3-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid.
Chemical Property Profile of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid
Property Insights of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid
The XLogP value of 0.9548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid. The TPSA of 138.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid. Following Lipinski's Rule of Five, (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid has 4 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 (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid?
The CAS number of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid is 958952-08-4.
What is the molecular formula of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid?
The molecular formula of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid is C13H19N3O5S.
What is the molecular weight of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid?
The molecular weight of (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid is 329.10 g/mol.
Where can I buy (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid?
You can request a quote for (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.