![methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate structure](/static/products/349/349439-97-0.png)
methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate
TL;DR: methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate (CAS 349439-97-0) is a chemical compound with molecular formula C17H13N3O7S2 and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)carbamoyl)-5-nitrobenzoate, METHYL 3-[(6-METHANESULFONYL-1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]-5-NITROBENZOATE, methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate, methyl 3-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate, methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate
| Molecular Formula | C17H13N3O7S2 |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 2.6469 |
| Topological Polar Surface Area | 145.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.0195 |
| Heavy Atoms | 29 |
| Complexity | 1265.2672 |
Chemical Identifiers
| CAS Number | 349439-97-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate (CAS 349439-97-0), with molecular formula C17H13N3O7S2 and molecular weight 435.02 g/mol. IUPAC: methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate
Property Insights of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate
The XLogP value of 2.6469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate. The TPSA of 145.57 Ų indicates high polarity, suggesting methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate has 1 hydrogen bond donor(s) and 9 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 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate?
The CAS number of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate is 349439-97-0.
What is the molecular formula of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate?
The molecular formula of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate is C17H13N3O7S2.
What is the molecular weight of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate?
The molecular weight of methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate is 435.02 g/mol.
Where can I buy methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate?
You can request a quote for methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-{N-[6-(methylsulfonyl)benzothiazol-2-yl]carbamoyl}-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.