2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
TL;DR: 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid (CAS 91905-40-7) is a chemical compound with molecular formula C21H17N3O4S2 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-aminobenzoyl)amino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid
Also Known As: NCIStruc1_001055, NCIStruc2_000974, NCI60_002153, 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid, Benzenesulfonic acid, 2-((4-aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)-
| Molecular Formula | C21H17N3O4S2 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.06604 |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 91905-40-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O |
| InChIKey | OINIYAOVPXPWNV-UHFFFAOYSA-N |
Product Overview
2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid (CAS 91905-40-7), with molecular formula C21H17N3O4S2 and molecular weight 439.07 g/mol. IUPAC: 2-[(4-aminobenzoyl)amino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid.
Chemical Property Profile of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
Property Insights of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
The XLogP value of 3.9 indicates that 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid has 3 hydrogen bond donor(s) and 7 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-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid?
The CAS number of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid is 91905-40-7.
What is the molecular formula of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid?
The molecular formula of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid is C21H17N3O4S2.
What is the molecular weight of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid?
The molecular weight of 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid is 439.07 g/mol.
Where can I buy 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid?
You can request a quote for 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)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-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.