3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one
TL;DR: 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one (CAS 6472-33-9) is a chemical compound with molecular formula C16H10ClN3OS and molecular weight 327.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4-one
Also Known As: 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one, AP-213/40882416, 3-benzothiazol-2-yl-6-chloro-2-methyl-quinazolin-4-one, 3-(1,3-benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4-one
| Molecular Formula | C16H10ClN3OS |
|---|---|
| Molecular Weight | 327.02 g/mol |
| LogP | 3.95722 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.02332 |
| Heavy Atoms | 22 |
| Complexity | 1050.8295 |
Chemical Identifiers
| CAS Number | 6472-33-9 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one (CAS 6472-33-9), with molecular formula C16H10ClN3OS and molecular weight 327.02 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one
Property Insights of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one
The XLogP value of 3.95722 indicates that 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one is 6472-33-9.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one is C16H10ClN3OS.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one is 327.02 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.