![N-[(4-sulfamoylphenyl)carbamoyl]-L-valine structure](/static/products/958/958845-73-3.png)
N-[(4-sulfamoylphenyl)carbamoyl]-L-valine
TL;DR: N-[(4-sulfamoylphenyl)carbamoyl]-L-valine (CAS 958845-73-3) is a chemical compound with molecular formula C12H17N3O5S and molecular weight 315.09 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]butanoic acid
Also Known As: N-[(4-sulfamoylphenyl)carbamoyl]-L-valine, (S)-3-methyl-2-(3-(4-sulfamoylphenyl)ureido)butanoic acid, (2S)-3-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoic acid
| Molecular Formula | C12H17N3O5S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0889 |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 958845-73-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | NNWUZDTWYYJOFR-JTQLQIEISA-N |
Product Overview
N-[(4-sulfamoylphenyl)carbamoyl]-L-valine (CAS 958845-73-3), with molecular formula C12H17N3O5S and molecular weight 315.09 g/mol. IUPAC: (2S)-3-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoic acid.
Chemical Property Profile of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine
Property Insights of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-sulfamoylphenyl)carbamoyl]-L-valine. The TPSA of 147.0 Ų indicates high polarity, suggesting N-[(4-sulfamoylphenyl)carbamoyl]-L-valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(4-sulfamoylphenyl)carbamoyl]-L-valine has 4 hydrogen bond donor(s) and 6 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 N-[(4-sulfamoylphenyl)carbamoyl]-L-valine?
The CAS number of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine is 958845-73-3.
What is the molecular formula of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine?
The molecular formula of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine is C12H17N3O5S.
What is the molecular weight of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine?
The molecular weight of N-[(4-sulfamoylphenyl)carbamoyl]-L-valine is 315.09 g/mol.
Where can I buy N-[(4-sulfamoylphenyl)carbamoyl]-L-valine?
You can request a quote for N-[(4-sulfamoylphenyl)carbamoyl]-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-sulfamoylphenyl)carbamoyl]-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-sulfamoylphenyl)carbamoyl]-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.