N-Benzothiazol-2-yl-4-methyl-phthalamic acid
TL;DR: N-Benzothiazol-2-yl-4-methyl-phthalamic acid (CAS 325810-27-3) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylcarbamoyl)-4-methylbenzoic acid
Also Known As: N-Benzothiazol-2-yl-4-methyl-phthalamic acid, BAS 01126144, 2-(1,3-benzothiazol-2-ylcarbamoyl)-4-methylbenzoic acid, 2-[(1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]-4-METHYLBENZOIC ACID, AP-263/13383252
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 325810-27-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | SPAPZNDSAFQDPD-UHFFFAOYSA-N |
Product Overview
N-Benzothiazol-2-yl-4-methyl-phthalamic acid (CAS 325810-27-3), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylcarbamoyl)-4-methylbenzoic acid.
Chemical Property Profile of N-Benzothiazol-2-yl-4-methyl-phthalamic acid
Property Insights of N-Benzothiazol-2-yl-4-methyl-phthalamic acid
The XLogP value of 3.4 indicates that N-Benzothiazol-2-yl-4-methyl-phthalamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzothiazol-2-yl-4-methyl-phthalamic acid. Following Lipinski's Rule of Five, N-Benzothiazol-2-yl-4-methyl-phthalamic 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 N-Benzothiazol-2-yl-4-methyl-phthalamic acid?
The CAS number of N-Benzothiazol-2-yl-4-methyl-phthalamic acid is 325810-27-3.
What is the molecular formula of N-Benzothiazol-2-yl-4-methyl-phthalamic acid?
The molecular formula of N-Benzothiazol-2-yl-4-methyl-phthalamic acid is C16H12N2O3S.
What is the molecular weight of N-Benzothiazol-2-yl-4-methyl-phthalamic acid?
The molecular weight of N-Benzothiazol-2-yl-4-methyl-phthalamic acid is 312.06 g/mol.
Where can I buy N-Benzothiazol-2-yl-4-methyl-phthalamic acid?
You can request a quote for N-Benzothiazol-2-yl-4-methyl-phthalamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzothiazol-2-yl-4-methyl-phthalamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzothiazol-2-yl-4-methyl-phthalamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.