(S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate (CAS 958946-79-7) is a chemical compound with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoate
Also Known As: methyl N-[(4-sulfamoylphenyl)carbamoyl]-L-leucinate, (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate, methyl (2S)-4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoate, (S)-4-Methyl-2-[3-(4-sulfamoyl-phenyl)-ureido]-pentanoic acid methyl ester
| Molecular Formula | C14H21N3O5S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 1.0432 |
| Topological Polar Surface Area | 127.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.12018 |
| Heavy Atoms | 23 |
| Complexity | 655.49524 |
Chemical Identifiers
| CAS Number | 958946-79-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N |
Product Overview
(S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate (CAS 958946-79-7), with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol. IUPAC: methyl (2S)-4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoate.
Chemical Property Profile of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate
The XLogP value of 1.0432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate. The TPSA of 127.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate has 3 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 (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate is 958946-79-7.
What is the molecular formula of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate is C14H21N3O5S.
What is the molecular weight of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate is 343.12 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 4-methyl-2-(3-(4-sulfamoylphenyl)ureido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.