Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate
TL;DR: Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate (CAS 1023531-08-9) is a chemical compound with molecular formula C9H7ClN2O2S and molecular weight 241.99167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate
Also Known As: 2-Amino-6-chloro-benzothiazole-4-carboxylic acid methyl ester, methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate, Methyl 2-amino-6-chlorobenzo[d]thiazole-4-carboxylate, 4-Benzothiazolecarboxylic acid, 2-amino-6-chloro-, methyl ester, Methyl 2-amino-6-chloro-benzothiazole-4-carboxylate
Technical Specifications
| Molecular Formula | C9H7ClN2O2S |
| Molecular Weight | 241.99167 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.99167 Da |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
| SMILES | COC(=O)C1=C2C(=CC(=C1)Cl)SC(=N2)N |
| InChIKey | BMLKUJDKRBSLQO-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate
Property Insights of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate?
The CAS number of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate is 1023531-08-9.
What is the molecular formula of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate?
The molecular formula of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate is C9H7ClN2O2S.
What is the molecular weight of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate?
The molecular weight of Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate is 241.99167 g/mol.
Where can I buy Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate?
You can request a quote for Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-amino-6-chloro-1,3-benzothiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.