N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide
TL;DR: N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide (CAS 141577-40-4) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-(2-phenylethylamino)butanoic acid
Also Known As: PDSP1_000278, PDSP2_000277, N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide, Butanoic acid, 3-((2-naphthalenylsulfonyl)amino)-4-oxo-4-((2-phenylethyl)amino)-, (S)-, (3S)-3-(naphthalen-2-ylsulfonylamino)-3-(phenethylcarbamoyl)propanoic Acid
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 2.3203 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1146.4164 |
Chemical Identifiers
| CAS Number | 141577-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2 |
Product Overview
N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide (CAS 141577-40-4), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-(2-phenylethylamino)butanoic acid.
Chemical Property Profile of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide
Property Insights of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide
The XLogP value of 2.3203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide. Following Lipinski's Rule of Five, N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide has 3 hydrogen bond donor(s) and 4 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-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide?
The CAS number of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide is 141577-40-4.
What is the molecular formula of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide?
The molecular formula of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide is C22H22N2O5S.
What is the molecular weight of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide?
The molecular weight of N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide is 426.12 g/mol.
Where can I buy N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide?
You can request a quote for N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Naphthalenesulfonyl)aspartyl-(2-phenethyl)amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.