![methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate structure](/static/products/3486/348605-18-5.webp)
methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate
TL;DR: methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate (CAS 348605-18-5) is a chemical compound with molecular formula C19H16N2O9 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(methoxycarbonyl)-5-nitrobenzamido)isophthalate, methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate, 1,3-DIMETHYL 5-[3-(METHOXYCARBONYL)-5-NITROBENZAMIDO]BENZENE-1,3-DICARBOXYLATE, dimethyl 5-({[3-(methoxycarbonyl)-5-nitrophenyl]carbonyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
| Molecular Formula | C19H16N2O9 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 2.2069 |
| Topological Polar Surface Area | 151.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.08557 |
| Heavy Atoms | 30 |
| Complexity | 1012.0458 |
Chemical Identifiers
| CAS Number | 348605-18-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC |
Product Overview
methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate (CAS 348605-18-5), with molecular formula C19H16N2O9 and molecular weight 416.09 g/mol. IUPAC: dimethyl 5-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate
Property Insights of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate
The XLogP value of 2.2069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate. The TPSA of 151.14 Ų indicates high polarity, suggesting methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]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-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate?
The CAS number of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate is 348605-18-5.
What is the molecular formula of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate?
The molecular formula of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate is C19H16N2O9.
What is the molecular weight of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate?
The molecular weight of methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate is 416.09 g/mol.
Where can I buy methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate?
You can request a quote for methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]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-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.