![methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate structure](/static/products/958/958846-32-7.png)
methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate
TL;DR: methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate (CAS 958846-32-7) is a chemical compound with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoate
Also Known As: methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate, (S)-methyl 3-phenyl-2-(3-(4-sulfamoylbenzyl)ureido)propanoate, methyl (2S)-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoate
| Molecular Formula | C18H21N3O5S |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.12018 |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 958846-32-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N |
| InChIKey | JESUPTIANRSPJS-INIZCTEOSA-N |
Product Overview
methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate (CAS 958846-32-7), with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol. IUPAC: methyl (2S)-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoate.
Chemical Property Profile of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate
Property Insights of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate. Following Lipinski's Rule of Five, methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate has 3 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 methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate?
The CAS number of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate is 958846-32-7.
What is the molecular formula of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate?
The molecular formula of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate is C18H21N3O5S.
What is the molecular weight of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate?
The molecular weight of methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate is 391.12 g/mol.
Where can I buy methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate?
You can request a quote for methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate 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]-L-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.