S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate
TL;DR: S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate (CAS 364628-13-7) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate
Also Known As: ChemDiv3_004703, IDI1_022613, S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate, 6-methoxy-4-methylquinazolin-2-ylthio phenyl ketone, S-(6-methoxy-4-methylquinazolin-2-yl) benzothioate
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 364628-13-7 |
|---|---|
| SMILES | CC1=C2C=C(C=CC2=NC(=N1)SC(=O)C3=CC=CC=C3)OC |
| InChIKey | CPBBNSZJGREQOL-UHFFFAOYSA-N |
Product Overview
S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate (CAS 364628-13-7), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate.
Chemical Property Profile of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate
Property Insights of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate
The XLogP value of 4.2 indicates that S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate. Following Lipinski's Rule of Five, S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate has 0 hydrogen bond donor(s) and 5 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 S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate?
The CAS number of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate is 364628-13-7.
What is the molecular formula of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate?
The molecular formula of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate is C17H14N2O2S.
What is the molecular weight of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate?
The molecular weight of S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate is 310.08 g/mol.
Where can I buy S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate?
You can request a quote for S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(6-methoxy-4-methylquinazolin-2-yl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.