![3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/1005/1005103-19-4.webp)
3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005103-19-4) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-[(4-methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-({3-nitro-4-methylanilino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(4-methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((4-methyl-3-nitrophenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(4-METHYL-3-NITROANILINO)CARBONYL]BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.36462 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 727.18085 |
Chemical Identifiers
| CAS Number | 1005103-19-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3)[N+](=O)[O-] |
Product Overview
3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005103-19-4), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: 3-[(4-methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.36462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005103-19-4.
What is the molecular formula of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C16H16N2O5.
What is the molecular weight of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 316.11 g/mol.
Where can I buy 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methyl-3-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.