(4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate
TL;DR: (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate (CAS 70572-52-0) is a chemical compound with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate
Also Known As: 2- -6-methylbenzothiazolesulphonicacid, 4-(6-methylbenzothiazol-2-yl)sulfonyloxyaniline, (4-aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate
| Molecular Formula | C14H12N2O3S2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.95462 |
| Topological Polar Surface Area | 82.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.02893 |
| Heavy Atoms | 21 |
| Complexity | 899.6188 |
Chemical Identifiers
| CAS Number | 70572-52-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)OC3=CC=C(C=C3)N |
Product Overview
(4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate (CAS 70572-52-0), with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol. IUPAC: (4-aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate.
Chemical Property Profile of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate
Property Insights of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate
The XLogP value of 2.95462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate. The TPSA of 82.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate. Following Lipinski's Rule of Five, (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate has 1 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 (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate?
The CAS number of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate is 70572-52-0.
What is the molecular formula of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate?
The molecular formula of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate is C14H12N2O3S2.
What is the molecular weight of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate?
The molecular weight of (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate is 320.03 g/mol.
Where can I buy (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate?
You can request a quote for (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Aminophenyl) 6-methyl-1,3-benzothiazole-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.