n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine
TL;DR: n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine (CAS 6322-34-5) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid
Also Known As: n-(2-carboxyethyl)-n-(phenylsulfonyl)alanine, N-(Benzenesulfonyl)-N-(2-carboxyethyl)alanine, 2-[phenylsulfonyl(2-carboxyethyl)amino]propanoic acid, 2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 6322-34-5 |
|---|---|
| SMILES | CC(C(=O)O)N(CCC(=O)O)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | JTNDCFYLUMGNQP-UHFFFAOYSA-N |
Product Overview
n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine (CAS 6322-34-5), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: 2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid.
Chemical Property Profile of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine
Property Insights of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine. Following Lipinski's Rule of Five, n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine has 2 hydrogen bond donor(s) and 7 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-Carboxyethyl)-n-(phenylsulfonyl)alanine?
The CAS number of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine is 6322-34-5.
What is the molecular formula of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine?
The molecular formula of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine is C12H15NO6S.
What is the molecular weight of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine?
The molecular weight of n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine is 301.06 g/mol.
Where can I buy n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine?
You can request a quote for n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.