![methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate structure](/static/products/958/958952-01-7.png)
methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate
TL;DR: methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate (CAS 958952-01-7) is a chemical compound with molecular formula C15H23N3O5S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
Also Known As: methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate, (2S)-methyl 3-methyl-2-(3-(4-sulfamoylbenzyl)ureido)pentanoate, methyl 3-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
| Molecular Formula | C15H23N3O5S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 0.7209 |
| Topological Polar Surface Area | 127.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.13583 |
| Heavy Atoms | 24 |
| Complexity | 672.85486 |
Chemical Identifiers
| CAS Number | 958952-01-7 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC)NC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N |
Product Overview
methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate (CAS 958952-01-7), with molecular formula C15H23N3O5S and molecular weight 357.14 g/mol. IUPAC: methyl 3-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate.
Chemical Property Profile of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate
Property Insights of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate
The XLogP value of 0.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate. The TPSA of 127.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate. Following Lipinski's Rule of Five, methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate 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 methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate?
The CAS number of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate is 958952-01-7.
What is the molecular formula of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate?
The molecular formula of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate is C15H23N3O5S.
What is the molecular weight of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate?
The molecular weight of methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate is 357.14 g/mol.
Where can I buy methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate?
You can request a quote for methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.