2-Amino-4-benzylsulfanylbutanoic acid
TL;DR: 2-Amino-4-benzylsulfanylbutanoic acid (CAS 3054-02-2) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-benzylsulfanylbutanoic acid
Also Known As: S-Benzyl-DL-homocysteine, S-benzylhomocysteine, Benzylhomocysteine #, S-Benzyl-L-homocysteine, s-propargyl-l-cysteine
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 3054-02-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCC(C(=O)O)N |
| InChIKey | KIPDMPPOTUGMPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4-benzylsulfanylbutanoic acid (CAS 3054-02-2), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: 2-amino-4-benzylsulfanylbutanoic acid.
Chemical Property Profile of 2-Amino-4-benzylsulfanylbutanoic acid
Property Insights of 2-Amino-4-benzylsulfanylbutanoic acid
The XLogP value of -0.9 indicates that 2-Amino-4-benzylsulfanylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-benzylsulfanylbutanoic acid. Following Lipinski's Rule of Five, 2-Amino-4-benzylsulfanylbutanoic acid 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 2-Amino-4-benzylsulfanylbutanoic acid?
The CAS number of 2-Amino-4-benzylsulfanylbutanoic acid is 3054-02-2.
What is the molecular formula of 2-Amino-4-benzylsulfanylbutanoic acid?
The molecular formula of 2-Amino-4-benzylsulfanylbutanoic acid is C11H15NO2S.
What is the molecular weight of 2-Amino-4-benzylsulfanylbutanoic acid?
The molecular weight of 2-Amino-4-benzylsulfanylbutanoic acid is 225.08 g/mol.
Where can I buy 2-Amino-4-benzylsulfanylbutanoic acid?
You can request a quote for 2-Amino-4-benzylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-benzylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-benzylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.