4-benzothiazol-2-ylbenzoic Acid
TL;DR: 4-benzothiazol-2-ylbenzoic Acid (CAS 2182-78-7) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)benzoic acid
Also Known As: 4-benzothiazol-2-ylbenzoic Acid, 4-(benzo[d]thiazol-2-yl)benzoic acid, 4-(1,3-benzothiazol-2-yl)benzoic acid, 4-(benzothiazol-2-yl)benzoic acid, 4- BENZOICACID
| Molecular Formula | C14H9NO2S |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 3.6615 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.0354 |
| Heavy Atoms | 18 |
| Complexity | 682.997 |
Chemical Identifiers
| CAS Number | 2182-78-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-benzothiazol-2-ylbenzoic Acid (CAS 2182-78-7), with molecular formula C14H9NO2S and molecular weight 255.04 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)benzoic acid.
Chemical Property Profile of 4-benzothiazol-2-ylbenzoic Acid
Property Insights of 4-benzothiazol-2-ylbenzoic Acid
The XLogP value of 3.6615 indicates that 4-benzothiazol-2-ylbenzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 4-benzothiazol-2-ylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzothiazol-2-ylbenzoic Acid has 1 hydrogen bond donor(s) and 3 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-benzothiazol-2-ylbenzoic Acid?
The CAS number of 4-benzothiazol-2-ylbenzoic Acid is 2182-78-7.
What is the molecular formula of 4-benzothiazol-2-ylbenzoic Acid?
The molecular formula of 4-benzothiazol-2-ylbenzoic Acid is C14H9NO2S.
What is the molecular weight of 4-benzothiazol-2-ylbenzoic Acid?
The molecular weight of 4-benzothiazol-2-ylbenzoic Acid is 255.04 g/mol.
Where can I buy 4-benzothiazol-2-ylbenzoic Acid?
You can request a quote for 4-benzothiazol-2-ylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzothiazol-2-ylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-benzothiazol-2-ylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.