![methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate structure](/static/products/958/958845-87-9.png)
methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate
TL;DR: methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate (CAS 958845-87-9) is a chemical compound with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate
Also Known As: (S)-methyl 3-phenyl-2-(3-(4-sulfamoylphenethyl)ureido)propanoate, methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate, methyl (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate
| Molecular Formula | C19H23N3O5S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.13583 |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 958845-87-9 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N |
| InChIKey | PFGUMGQBZHYUHI-KRWDZBQOSA-N |
Product Overview
methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate (CAS 958845-87-9), with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol. IUPAC: methyl (2S)-3-phenyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]propanoate.
Chemical Property Profile of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate
Property Insights of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate. Following Lipinski's Rule of Five, methyl N-{[2-(4-sulfamoylphenyl)ethyl]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-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate?
The CAS number of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate is 958845-87-9.
What is the molecular formula of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate?
The molecular formula of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate is C19H23N3O5S.
What is the molecular weight of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate?
The molecular weight of methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate is 405.14 g/mol.
Where can I buy methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate?
You can request a quote for methyl N-{[2-(4-sulfamoylphenyl)ethyl]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-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.