3-氨基-2,1-苯并异噻唑-5-磺酸
TL;DR: 3-氨基-2,1-苯并异噻唑-5-磺酸 (CAS 53815-74-0) is a chemical compound with molecular formula C7H6N2O3S2 and molecular weight 229.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-2,1-苯并异噻唑-5-磺酸
3-amino-2,1-benzothiazole-5-sulfonic acid
Also Known As: 3-amino-2,1-benzothiazole-5-sulfonic acid, 3-Amino-2,1-benzisothiazole-5-sulphonic acid, 3-Aminobenzo[c]isothiazole-5-sulfonic acid, 3-AMINO-2,1-BENZISOTHIAZOLE-5-SULFONIC ACID, 2,1-Benzisothiazole-5-sulfonic acid, 3-amino-
| Molecular Formula | C7H6N2O3S2 |
|---|---|
| Molecular Weight | 229.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.98198 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 53815-74-0 |
|---|---|
| SMILES | C1=CC2=NSC(=C2C=C1S(=O)(=O)O)N |
| InChIKey | AOVDONCOLZOGQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-2,1-苯并异噻唑-5-磺酸 (CAS 53815-74-0), with molecular formula C7H6N2O3S2 and molecular weight 229.98 g/mol. IUPAC: 3-amino-2,1-benzothiazole-5-sulfonic acid.
Chemical Property Profile of 3-氨基-2,1-苯并异噻唑-5-磺酸
Property Insights of 3-氨基-2,1-苯并异噻唑-5-磺酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-2,1-苯并异噻唑-5-磺酸. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-2,1-苯并异噻唑-5-磺酸. Following Lipinski's Rule of Five, 3-氨基-2,1-苯并异噻唑-5-磺酸 has 2 hydrogen bond donor(s) and 6 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-氨基-2,1-苯并异噻唑-5-磺酸?
The CAS number of 3-氨基-2,1-苯并异噻唑-5-磺酸 is 53815-74-0.
What is the molecular formula of 3-氨基-2,1-苯并异噻唑-5-磺酸?
The molecular formula of 3-氨基-2,1-苯并异噻唑-5-磺酸 is C7H6N2O3S2.
What is the molecular weight of 3-氨基-2,1-苯并异噻唑-5-磺酸?
The molecular weight of 3-氨基-2,1-苯并异噻唑-5-磺酸 is 229.98 g/mol.
Where can I buy 3-氨基-2,1-苯并异噻唑-5-磺酸?
You can request a quote for 3-氨基-2,1-苯并异噻唑-5-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-2,1-苯并异噻唑-5-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-2,1-苯并异噻唑-5-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.