Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate
TL;DR: Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate (CAS 329932-13-0) is a chemical compound with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-(pyridin-3-ylmethylcarbamoyl)benzoate
Also Known As: BAS 00856759, methyl 3-nitro-5-(pyridin-3-ylmethylcarbamoyl)benzoate, methyl 3-nitro-5-[N-(3-pyridylmethyl)carbamoyl]benzoate, methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate, methyl 3-nitro-5-[(pyridin-3-ylmethyl)carbamoyl]benzoate
| Molecular Formula | C15H13N3O5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0855 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 329932-13-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-] |
| InChIKey | JVNXHHBYMVIQAW-UHFFFAOYSA-N |
Product Overview
Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate (CAS 329932-13-0), with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol. IUPAC: methyl 3-nitro-5-(pyridin-3-ylmethylcarbamoyl)benzoate.
Chemical Property Profile of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate
Property Insights of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate has 1 hydrogen bond donor(s) and 6 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 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate?
The CAS number of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate is 329932-13-0.
What is the molecular formula of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate?
The molecular formula of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate is C15H13N3O5.
What is the molecular weight of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate?
The molecular weight of Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate is 315.09 g/mol.
Where can I buy Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate?
You can request a quote for Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-((pyridin-3-ylmethyl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.