7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide
TL;DR: 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide (CAS 330179-91-4) is a chemical compound with molecular formula C14H18N2OS and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-2,2,4-trimethylquinoline-1-carbothioamide
Also Known As: BIM-0016694.P001, 7-methoxy-2,2,4-trimethylquinoline-1-carbothioamide, 7-methoxy-2,2,4-trimethyl-1(2H)-quinolinecarbothioamide, 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide
| Molecular Formula | C14H18N2OS |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.11398 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 330179-91-4 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=CC(=C2)OC)C(=S)N)(C)C |
| InChIKey | YXRRQUGOCIGJHP-UHFFFAOYSA-N |
Product Overview
7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide (CAS 330179-91-4), with molecular formula C14H18N2OS and molecular weight 262.11 g/mol. IUPAC: 7-methoxy-2,2,4-trimethylquinoline-1-carbothioamide.
Chemical Property Profile of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide
Property Insights of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide. Following Lipinski's Rule of Five, 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide has 1 hydrogen bond donor(s) and 2 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 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide?
The CAS number of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide is 330179-91-4.
What is the molecular formula of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide?
The molecular formula of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide is C14H18N2OS.
What is the molecular weight of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide?
The molecular weight of 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide is 262.11 g/mol.
Where can I buy 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide?
You can request a quote for 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-2,2,4-trimethylquinoline-1(2H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.