L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-
TL;DR: L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- (CAS 81081-96-1) is a chemical compound with molecular formula C11H8Cl5NO4S and molecular weight 424.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfinylpropanoic acid
Also Known As: -2-acetamido-3- sulfinyl-propanoicacid, L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-, (2R)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfinylpropanoic acid, (2R)-2-ACETAMIDO-3-(2,3,4,5,6-PENTACHLOROPHENYL)SULFINYL-PROPANOIC ACI D, N-(1-Hydroxyethylidene)-3-(2,3,4,5,6-pentachlorobenzene-1-sulfinyl)-L-alanine
| Molecular Formula | C11H8Cl5NO4S |
|---|---|
| Molecular Weight | 424.86 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.86166 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 81081-96-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CS(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | FYEXPRODTBPTNX-IUXJWJETSA-N |
Product Overview
L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- (CAS 81081-96-1), with molecular formula C11H8Cl5NO4S and molecular weight 424.86 g/mol. IUPAC: (2R)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfinylpropanoic acid.
Chemical Property Profile of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-
Property Insights of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-
The XLogP value of 3.1 indicates that L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-. Following Lipinski's Rule of Five, L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- has 2 hydrogen bond donor(s) and 5 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 L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-?
The CAS number of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- is 81081-96-1.
What is the molecular formula of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-?
The molecular formula of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- is C11H8Cl5NO4S.
What is the molecular weight of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-?
The molecular weight of L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- is 424.86 g/mol.
Where can I buy L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-?
You can request a quote for L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine, N-acetyl-3-((pentachlorophenyl)sulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.