Clofibrate mercapturate
TL;DR: Clofibrate mercapturate (CAS 84489-15-6) is a chemical compound with molecular formula C15H18ClNO5S and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylpropanoic acid
Also Known As: Clofibrate mercapturate, (2R)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylpropanoic acid, J1.650.364I, L-Cysteine, N-acetyl-, 2-(4-chlorophenoxy)-2-methylpropanoate (ester), N-Acetyl-S-(2-(4-chlorophenoxy)-2-methylthiopropionyl)cysteine
| Molecular Formula | C15H18ClNO5S |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.05942 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 84489-15-6 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | CIZGEASWPCDLRX-LBPRGKRZSA-N |
Product Overview
Clofibrate mercapturate (CAS 84489-15-6), with molecular formula C15H18ClNO5S and molecular weight 359.06 g/mol. IUPAC: (2R)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylpropanoic acid.
Chemical Property Profile of Clofibrate mercapturate
Property Insights of Clofibrate mercapturate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clofibrate mercapturate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Clofibrate mercapturate. Following Lipinski's Rule of Five, Clofibrate mercapturate has 2 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 Clofibrate mercapturate?
The CAS number of Clofibrate mercapturate is 84489-15-6.
What is the molecular formula of Clofibrate mercapturate?
The molecular formula of Clofibrate mercapturate is C15H18ClNO5S.
What is the molecular weight of Clofibrate mercapturate?
The molecular weight of Clofibrate mercapturate is 359.06 g/mol.
Where can I buy Clofibrate mercapturate?
You can request a quote for Clofibrate mercapturate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clofibrate mercapturate?
Yes, KEHONG BIO provides custom synthesis services for Clofibrate mercapturate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.