Pimetacin
TL;DR: Pimetacin (CAS 79992-71-5) is a chemical compound with molecular formula C25H21ClN2O3S and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(pyridin-3-ylmethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate
Also Known As: Pimetacin, pimetacina, pimetacine, Pimetacin [INN], pimetacinum
| Molecular Formula | C25H21ClN2O3S |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 5.69772 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.09613 |
| Heavy Atoms | 32 |
| Complexity | 1284.2935 |
Chemical Identifiers
| CAS Number | 79992-71-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SCC4=CN=CC=C4 |
Product Overview
Pimetacin (CAS 79992-71-5), with molecular formula C25H21ClN2O3S and molecular weight 464.10 g/mol. IUPAC: S-(pyridin-3-ylmethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate.
Chemical Property Profile of Pimetacin
Property Insights of Pimetacin
The XLogP value of 5.69772 indicates that Pimetacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Pimetacin. Following Lipinski's Rule of Five, Pimetacin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pimetacin?
The CAS number of Pimetacin is 79992-71-5.
What is the molecular formula of Pimetacin?
The molecular formula of Pimetacin is C25H21ClN2O3S.
What is the molecular weight of Pimetacin?
The molecular weight of Pimetacin is 464.10 g/mol.
Where can I buy Pimetacin?
You can request a quote for Pimetacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pimetacin?
Yes, KEHONG BIO provides custom synthesis services for Pimetacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.