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Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate
TL;DR: Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate (CAS 519019-35-3) is a chemical compound with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
Also Known As: methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate, J2.549.681G, METHYL 2-(4-NITROBENZAMIDO)-1,3-BENZOTHIAZOLE-6-CARBOXYLATE, methyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate, F1300-0005
| Molecular Formula | C16H11N3O5S |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 3.2434 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.04193 |
| Heavy Atoms | 25 |
| Complexity | 981.1038 |
Chemical Identifiers
| CAS Number | 519019-35-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate (CAS 519019-35-3), with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol. IUPAC: methyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate
Property Insights of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate
The XLogP value of 3.2434 indicates that Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate has 1 hydrogen bond donor(s) and 7 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-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate?
The CAS number of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate is 519019-35-3.
What is the molecular formula of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate?
The molecular formula of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate is C16H11N3O5S.
What is the molecular weight of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate?
The molecular weight of Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate is 357.04 g/mol.
Where can I buy Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate?
You can request a quote for Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-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-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.