2-Chloro-4,7-dimethoxy-1,3-benzothiazole
TL;DR: 2-Chloro-4,7-dimethoxy-1,3-benzothiazole (CAS 890091-99-3) is a chemical compound with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,7-dimethoxy-1,3-benzothiazole
Also Known As: 2-chloro-4,7-dimethoxy-1,3-benzothiazole, 2-chloro-4,7-dimethoxybenzo[d]thiazole, 857-173-8, RefChem:258661
| Molecular Formula | C9H8ClNO2S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 2.9669 |
| Topological Polar Surface Area | 31.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.99643 |
| Heavy Atoms | 14 |
| Complexity | 428.02505 |
Chemical Identifiers
| CAS Number | 890091-99-3 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)OC)SC(=N2)Cl |
Product Overview
2-Chloro-4,7-dimethoxy-1,3-benzothiazole (CAS 890091-99-3), with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol. IUPAC: 2-chloro-4,7-dimethoxy-1,3-benzothiazole.
Chemical Property Profile of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole
Property Insights of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole
The XLogP value of 2.9669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,7-dimethoxy-1,3-benzothiazole. With a topological polar surface area (TPSA) of 31.35 Ų, 2-Chloro-4,7-dimethoxy-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4,7-dimethoxy-1,3-benzothiazole 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 2-Chloro-4,7-dimethoxy-1,3-benzothiazole?
The CAS number of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole is 890091-99-3.
What is the molecular formula of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole?
The molecular formula of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole is C9H8ClNO2S.
What is the molecular weight of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole?
The molecular weight of 2-Chloro-4,7-dimethoxy-1,3-benzothiazole is 229.00 g/mol.
Where can I buy 2-Chloro-4,7-dimethoxy-1,3-benzothiazole?
You can request a quote for 2-Chloro-4,7-dimethoxy-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4,7-dimethoxy-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,7-dimethoxy-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.