![methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate structure](/static/products/3299/329931-96-6.webp)
methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate
TL;DR: methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate (CAS 329931-96-6) is a chemical compound with molecular formula C14H16N2O6 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-(oxolan-2-ylmethylcarbamoyl)benzoate
Also Known As: BAS 00856732, BIM-0049222.P001, methyl 3-nitro-5-(oxolan-2-ylmethylcarbamoyl)benzoate, methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate, methyl 3-nitro-5-(((tetrahydrofuran-2-yl)methyl)carbamoyl)benzoate
| Molecular Formula | C14H16N2O6 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 1.2902 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.10083 |
| Heavy Atoms | 22 |
| Complexity | 594.9959 |
Chemical Identifiers
| CAS Number | 329931-96-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NCC2CCCO2)[N+](=O)[O-] |
Product Overview
methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate (CAS 329931-96-6), with molecular formula C14H16N2O6 and molecular weight 308.10 g/mol. IUPAC: methyl 3-nitro-5-(oxolan-2-ylmethylcarbamoyl)benzoate.
Chemical Property Profile of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate
Property Insights of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate
The XLogP value of 1.2902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate. Following Lipinski's Rule of Five, methyl 3-nitro-5-[N-(oxolan-2-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-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate?
The CAS number of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate is 329931-96-6.
What is the molecular formula of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate?
The molecular formula of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate is C14H16N2O6.
What is the molecular weight of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate?
The molecular weight of methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate is 308.10 g/mol.
Where can I buy methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate?
You can request a quote for methyl 3-nitro-5-[N-(oxolan-2-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-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-nitro-5-[N-(oxolan-2-ylmethyl)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.