Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate
TL;DR: Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate (CAS 339153-43-4) 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.
methyl 2-benzamido-1,3-benzothiazole-6-carboxylate
Also Known As: methyl 2-benzamido-1,3-benzothiazole-6-carboxylate, methyl 2-(benzoylamino)-1,3-benzothiazole-6-carboxylate, methyl 2-benzamidobenzo[d]thiazole-6-carboxylate, Methyl 2-benzamidobenzothiazole-6-carboxylate, J2.549.680I
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.3352 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 842.978 |
Chemical Identifiers
| CAS Number | 339153-43-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3 |
Product Overview
Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate (CAS 339153-43-4), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: methyl 2-benzamido-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate
Property Insights of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate
The XLogP value of 3.3352 indicates that Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 2-benzamido-1,3-benzothiazole-6-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
Frequently Asked Questions
What is the CAS number of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate?
The CAS number of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate is 339153-43-4.
What is the molecular formula of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate?
The molecular formula of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate is C16H12N2O3S.
What is the molecular weight of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate?
The molecular weight of Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate is 312.06 g/mol.
Where can I buy Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate?
You can request a quote for Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzamido-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.