Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-
TL;DR: Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- (CAS 127648-31-1) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbenzoic acid
Also Known As: 4-((4,5-Dihydro-2-thiazolyl)amino)-3-methylbenzoic acid, Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-, 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbenzoic acid, 4-[(4,5-Dihydro-1,3-thiazol-2-yl)amino]-3-methylbenzoic acid
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O)NC2=NCCS2 |
| InChIKey | VVRQCWJBNMFTNC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-
Property Insights of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-. Following Lipinski's Rule of Five, Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-?
The CAS number of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- is 127648-31-1.
What is the molecular formula of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-?
The molecular formula of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- is C11H12N2O2S.
What is the molecular weight of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-?
The molecular weight of Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- is 236.06195 g/mol.
Where can I buy Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-?
You can request a quote for Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.