2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid
TL;DR: 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid (CAS 35446-36-7) is a chemical compound with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid
Also Known As: S-(N-Benzylthiocarbamoyl)-L-cysteine, S-[N-Benzyl(thiocarbamoyl)]-L-cysteine, Benzylisothiocyanate cysteine conjugate, 2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid, L-Cysteine, (phenylmethyl)carbamodithioate (ester)
| Molecular Formula | C11H14N2O2S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 1.2062 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.04968 |
| Heavy Atoms | 17 |
| Complexity | 384.31763 |
Chemical Identifiers
| CAS Number | 35446-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)SCC(C(=O)O)N |
Product Overview
2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid (CAS 35446-36-7), with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol. IUPAC: 2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid.
Chemical Property Profile of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid
Property Insights of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid
The XLogP value of 1.2062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid has 3 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-3-(benzylcarbamothioylsulfanyl)propanoic acid?
The CAS number of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid is 35446-36-7.
What is the molecular formula of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid?
The molecular formula of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid is C11H14N2O2S2.
What is the molecular weight of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid?
The molecular weight of 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid is 270.05 g/mol.
Where can I buy 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid?
You can request a quote for 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic 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-3-(benzylcarbamothioylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(benzylcarbamothioylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.