苄基美卡托酸
TL;DR: 苄基美卡托酸 (CAS 19542-77-9) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基美卡托酸
(2R)-2-acetamido-3-benzylsulfanylpropanoic acid
Also Known As: N-Acetyl-S-benzyl-L-cysteine, Benzylmercapturic acid, SBNAC, S-Benzylmercapturic acid, S-Benzyl-N-acetyl-L-cysteine
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 19542-77-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O |
| InChIKey | BJUXDERNWYKSIQ-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基美卡托酸 (CAS 19542-77-9), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: (2R)-2-acetamido-3-benzylsulfanylpropanoic acid.
Chemical Property Profile of 苄基美卡托酸
Property Insights of 苄基美卡托酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基美卡托酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基美卡托酸. Following Lipinski's Rule of Five, 苄基美卡托酸 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 苄基美卡托酸?
The CAS number of 苄基美卡托酸 is 19542-77-9.
What is the molecular formula of 苄基美卡托酸?
The molecular formula of 苄基美卡托酸 is C12H15NO3S.
What is the molecular weight of 苄基美卡托酸?
The molecular weight of 苄基美卡托酸 is 253.08 g/mol.
Where can I buy 苄基美卡托酸?
You can request a quote for 苄基美卡托酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基美卡托酸?
Yes, KEHONG BIO provides custom synthesis services for 苄基美卡托酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.