3,4-Premercapturic acid
TL;DR: 3,4-Premercapturic acid (CAS 134958-24-0) is a chemical compound with molecular formula C11H14BrNO4S and molecular weight 334.9827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid
Also Known As: 3,4-Premercapturic acid, 3-S-Premercapturic acid, S-(3-Bromophenyl)premercapturic acid, N-Acetyl-S-(2-hydroxy-5-bromocyclohexa-3,5-dienyl)cysteine, (2R)-2-acetamido-3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid
Technical Specifications
| Molecular Formula | C11H14BrNO4S |
| Molecular Weight | 334.9827 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.9827 Da |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
| SMILES | CC(=O)N[C@@H](CSC1C=C(C=CC1O)Br)C(=O)O |
| InChIKey | ZQHJIBWLHAGDPQ-IDKOKCKLSA-N |
Chemical Property Profile of 3,4-Premercapturic acid
Property Insights of 3,4-Premercapturic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Premercapturic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Premercapturic acid. Following Lipinski's Rule of Five, 3,4-Premercapturic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Premercapturic acid?
The CAS number of 3,4-Premercapturic acid is 134958-24-0.
What is the molecular formula of 3,4-Premercapturic acid?
The molecular formula of 3,4-Premercapturic acid is C11H14BrNO4S.
What is the molecular weight of 3,4-Premercapturic acid?
The molecular weight of 3,4-Premercapturic acid is 334.9827 g/mol.
Where can I buy 3,4-Premercapturic acid?
You can request a quote for 3,4-Premercapturic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Premercapturic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Premercapturic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.