1,2-苯并异噻唑-7-胺
TL;DR: 1,2-苯并异噻唑-7-胺 (CAS 89795-79-9) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-苯并异噻唑-7-胺
1,2-benzothiazol-7-amine
Also Known As: 1,2-Benzisothiazol-7-amine, benzo[d]isothiazol-7-amine, 1,2-benzothiazol-7-amine, 7-Nitrobenzo[d]isothiazole, 7-Amino-1,2-benzisothiazole
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 89795-79-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)N)SN=C2 |
| InChIKey | NEROCZWWNXWPOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-苯并异噻唑-7-胺 (CAS 89795-79-9), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 1,2-benzothiazol-7-amine.
Chemical Property Profile of 1,2-苯并异噻唑-7-胺
Property Insights of 1,2-苯并异噻唑-7-胺
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-苯并异噻唑-7-胺. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-苯并异噻唑-7-胺. Following Lipinski's Rule of Five, 1,2-苯并异噻唑-7-胺 has 1 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 1,2-苯并异噻唑-7-胺?
The CAS number of 1,2-苯并异噻唑-7-胺 is 89795-79-9.
What is the molecular formula of 1,2-苯并异噻唑-7-胺?
The molecular formula of 1,2-苯并异噻唑-7-胺 is C7H6N2S.
What is the molecular weight of 1,2-苯并异噻唑-7-胺?
The molecular weight of 1,2-苯并异噻唑-7-胺 is 150.03 g/mol.
Where can I buy 1,2-苯并异噻唑-7-胺?
You can request a quote for 1,2-苯并异噻唑-7-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-苯并异噻唑-7-胺?
Yes, KEHONG BIO provides custom synthesis services for 1,2-苯并异噻唑-7-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.