S-Benzyl-N-malonylcysteine
TL;DR: S-Benzyl-N-malonylcysteine (CAS 134283-03-7) is a chemical compound with molecular formula C13H15NO5S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-benzylsulfanyl-2-[(2-carboxyacetyl)amino]propanoic acid
Also Known As: S-Benzyl-N-malonylcysteine, S-BMC, S-Benzyl-N-malonyl-(L)-cysteine, S-Benzyl-N-(carboxyacetyl)-L-cysteine, L-Cysteine,N-(carboxyacetyl)-s-(phenylmethyl)
| Molecular Formula | C13H15NO5S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 297.0671 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 134283-03-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)CC(=O)O |
| InChIKey | ULAXDBZXDGZCSO-JTQLQIEISA-N |
Product Overview
S-Benzyl-N-malonylcysteine (CAS 134283-03-7), with molecular formula C13H15NO5S and molecular weight 297.07 g/mol. IUPAC: (2R)-3-benzylsulfanyl-2-[(2-carboxyacetyl)amino]propanoic acid.
Chemical Property Profile of S-Benzyl-N-malonylcysteine
Property Insights of S-Benzyl-N-malonylcysteine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Benzyl-N-malonylcysteine. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzyl-N-malonylcysteine. Following Lipinski's Rule of Five, S-Benzyl-N-malonylcysteine has 3 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 S-Benzyl-N-malonylcysteine?
The CAS number of S-Benzyl-N-malonylcysteine is 134283-03-7.
What is the molecular formula of S-Benzyl-N-malonylcysteine?
The molecular formula of S-Benzyl-N-malonylcysteine is C13H15NO5S.
What is the molecular weight of S-Benzyl-N-malonylcysteine?
The molecular weight of S-Benzyl-N-malonylcysteine is 297.07 g/mol.
Where can I buy S-Benzyl-N-malonylcysteine?
You can request a quote for S-Benzyl-N-malonylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl-N-malonylcysteine?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl-N-malonylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.