2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
TL;DR: 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid (CAS 7251-45-8) is a chemical compound with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
Also Known As: NCIOpen2_008119, 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid, 2-Amino-5-(1,3-benzothiazol-2-yl)benzene-1-sulfonic acid
| Molecular Formula | C13H10N2O3S2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.01328 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 7251-45-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)S(=O)(=O)O |
| InChIKey | VWFAWXHODXORCP-UHFFFAOYSA-N |
Product Overview
2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid (CAS 7251-45-8), with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol. IUPAC: 2-amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid.
Chemical Property Profile of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
Property Insights of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid. Following Lipinski's Rule of Five, 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid 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 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid?
The CAS number of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid is 7251-45-8.
What is the molecular formula of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid?
The molecular formula of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid is C13H10N2O3S2.
What is the molecular weight of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid?
The molecular weight of 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid is 306.01 g/mol.
Where can I buy 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid?
You can request a quote for 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.