N-Acetyltaurylphenylalanine methyl ester
TL;DR: N-Acetyltaurylphenylalanine methyl ester (CAS 14894-77-0) is a chemical compound with molecular formula C14H20N2O5S and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(2-acetamidoethylsulfonylamino)-3-phenylpropanoate
Also Known As: N-Atpme, N-Acetyltaurylphenylalanine methyl ester, 4-Tetradecanol, (S)-, N-Acetyltauryl-L-phenylalanine methyl ester, methyl (2S)-2-(2-acetamidoethylsulfonylamino)-3-phenylpropanoate
| Molecular Formula | C14H20N2O5S |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.10928 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 14894-77-0 |
|---|---|
| SMILES | CC(=O)NCCS(=O)(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | LEKJONVDIDMJJX-ZDUSSCGKSA-N |
Product Overview
N-Acetyltaurylphenylalanine methyl ester (CAS 14894-77-0), with molecular formula C14H20N2O5S and molecular weight 328.11 g/mol. IUPAC: methyl (2S)-2-(2-acetamidoethylsulfonylamino)-3-phenylpropanoate.
Chemical Property Profile of N-Acetyltaurylphenylalanine methyl ester
Property Insights of N-Acetyltaurylphenylalanine methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyltaurylphenylalanine methyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyltaurylphenylalanine methyl ester. Following Lipinski's Rule of Five, N-Acetyltaurylphenylalanine methyl ester has 2 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 N-Acetyltaurylphenylalanine methyl ester?
The CAS number of N-Acetyltaurylphenylalanine methyl ester is 14894-77-0.
What is the molecular formula of N-Acetyltaurylphenylalanine methyl ester?
The molecular formula of N-Acetyltaurylphenylalanine methyl ester is C14H20N2O5S.
What is the molecular weight of N-Acetyltaurylphenylalanine methyl ester?
The molecular weight of N-Acetyltaurylphenylalanine methyl ester is 328.11 g/mol.
Where can I buy N-Acetyltaurylphenylalanine methyl ester?
You can request a quote for N-Acetyltaurylphenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyltaurylphenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyltaurylphenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.