![4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid structure](/static/products/898/898646-57-6.png)
4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid
TL;DR: 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid (CAS 898646-57-6) is a chemical compound with molecular formula C20H13N3O3S and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzoic acid
Also Known As: 4-(2-(benzo[d]thiazol-2-yl)nicotinamido)benzoic acid, VU0610669-1, F3321-0028, 4-[2-(1,3-BENZOTHIAZOL-2-YL)PYRIDINE-3-AMIDO]BENZOIC ACID, 4-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzoic acid
| Molecular Formula | C20H13N3O3S |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 4.3088 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.06775 |
| Heavy Atoms | 27 |
| Complexity | 1119.5806 |
Chemical Identifiers
| CAS Number | 898646-57-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid (CAS 898646-57-6), with molecular formula C20H13N3O3S and molecular weight 375.07 g/mol. IUPAC: 4-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzoic acid.
Chemical Property Profile of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid
Property Insights of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid
The XLogP value of 4.3088 indicates that 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid. Following Lipinski's Rule of Five, 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid has 2 hydrogen bond donor(s) and 5 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-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid?
The CAS number of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid is 898646-57-6.
What is the molecular formula of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid?
The molecular formula of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid is C20H13N3O3S.
What is the molecular weight of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid?
The molecular weight of 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid is 375.07 g/mol.
Where can I buy 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid?
You can request a quote for 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Benzo[d]thiazol-2-yl)nicotinamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.