L-3-(Benzylthio)-N-(phenylacetyl)alanine
TL;DR: L-3-(Benzylthio)-N-(phenylacetyl)alanine (CAS 5411-82-5) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid
Also Known As: PA-S-Benzyl-L-cysteine, L-3-(Benzylthio)-N-(phenylacetyl)alanine, 4-09-00-01648 (Beilstein Handbook Reference), ALANINE, 3-(BENZYLTHIO)-N-(PHENYLACETYL)-, L-, S-Benzyl-N-(1-hydroxy-2-phenylethylidene)cysteine
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 5411-82-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(CSCC2=CC=CC=C2)C(=O)O |
| InChIKey | QPJDYFJSCDMPOG-UHFFFAOYSA-N |
Product Overview
L-3-(Benzylthio)-N-(phenylacetyl)alanine (CAS 5411-82-5), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: 3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid.
Chemical Property Profile of L-3-(Benzylthio)-N-(phenylacetyl)alanine
Property Insights of L-3-(Benzylthio)-N-(phenylacetyl)alanine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-3-(Benzylthio)-N-(phenylacetyl)alanine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-3-(Benzylthio)-N-(phenylacetyl)alanine. Following Lipinski's Rule of Five, L-3-(Benzylthio)-N-(phenylacetyl)alanine has 2 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 L-3-(Benzylthio)-N-(phenylacetyl)alanine?
The CAS number of L-3-(Benzylthio)-N-(phenylacetyl)alanine is 5411-82-5.
What is the molecular formula of L-3-(Benzylthio)-N-(phenylacetyl)alanine?
The molecular formula of L-3-(Benzylthio)-N-(phenylacetyl)alanine is C18H19NO3S.
What is the molecular weight of L-3-(Benzylthio)-N-(phenylacetyl)alanine?
The molecular weight of L-3-(Benzylthio)-N-(phenylacetyl)alanine is 329.11 g/mol.
Where can I buy L-3-(Benzylthio)-N-(phenylacetyl)alanine?
You can request a quote for L-3-(Benzylthio)-N-(phenylacetyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-3-(Benzylthio)-N-(phenylacetyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for L-3-(Benzylthio)-N-(phenylacetyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.