![3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/100/1005154-23-3.png)
3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005154-23-3) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[(3-chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-((3-chlorobenzyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(3-chlorobenzyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[(3-chlorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-{N-[(3-chlorophenyl)methyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic a cid
| Molecular Formula | C16H16ClNO3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 2.4791 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.08188 |
| Heavy Atoms | 21 |
| Complexity | 613.29456 |
Chemical Identifiers
| CAS Number | 1005154-23-3 |
|---|---|
| SMILES | C1C2C=CC1C(C2C(=O)NCC3=CC(=CC=C3)Cl)C(=O)O |
Product Overview
3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005154-23-3), with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol. IUPAC: 3-[(3-chlorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.4791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005154-23-3.
What is the molecular formula of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C16H16ClNO3.
What is the molecular weight of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 305.08 g/mol.
Where can I buy 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[(3-Chlorobenzyl)amino]carbonyl}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-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(3-Chlorobenzyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.