2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol
TL;DR: 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol (CAS 6338-86-9) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxidoquinazolin-3-ium
Also Known As: 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol, 2-{[(4-chlorophenyl)sulfanyl]methyl}-4-methylquinazoline 3-oxide, 2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxidoquinazolin-3-ium, Quinazoline, 2-[[(4-chlorophenyl)thio]methyl]-4-methyl-, 3-oxide, Quinazoline,2-[[(4-chlorophenyl)thio]methyl]-4-methyl-, 3-oxide
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6338-86-9 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSC3=CC=C(C=C3)Cl)[O-] |
| InChIKey | MFNGIERHPDNELB-UHFFFAOYSA-N |
Product Overview
2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol (CAS 6338-86-9), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: 2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxidoquinazolin-3-ium.
Chemical Property Profile of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol
Property Insights of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol
The XLogP value of 3.6 indicates that 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol. Following Lipinski's Rule of Five, 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol has 0 hydrogen bond donor(s) and 3 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 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol?
The CAS number of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol is 6338-86-9.
What is the molecular formula of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol?
The molecular formula of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol is C16H13ClN2OS.
What is the molecular weight of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol?
The molecular weight of 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol is 316.04 g/mol.
Where can I buy 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol?
You can request a quote for 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-phenylthiomethyl)-4-methyl-2H-quinazolin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.