![3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid structure](/static/products/3292/329271-70-7.webp)
3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
TL;DR: 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid (CAS 329271-70-7) is a chemical compound with molecular formula C18H18FNO3 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylcarbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
Also Known As: 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid, 2-[(4-fluorophenyl)methylcarbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-3-carboxylic acid, 3-[(4-fluorophenyl)methylcarbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid, 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1a(2)-cyclopropane]-2-carboxylic acid, 3-{[(4-fluorobenzyl)amino]carbonyl}spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-ene-2-carboxylic acid
| Molecular Formula | C18H18FNO3 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 2.3549 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.12708 |
| Heavy Atoms | 23 |
| Complexity | 692.7232 |
Chemical Identifiers
| CAS Number | 329271-70-7 |
|---|---|
| SMILES | C1CC12C3C=CC2C(C3C(=O)NCC4=CC=C(C=C4)F)C(=O)O |
Product Overview
3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid (CAS 329271-70-7), with molecular formula C18H18FNO3 and molecular weight 315.13 g/mol. IUPAC: 3-[(4-fluorophenyl)methylcarbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid.
Chemical Property Profile of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
Property Insights of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
The XLogP value of 2.3549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-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-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid?
The CAS number of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid is 329271-70-7.
What is the molecular formula of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid?
The molecular formula of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid is C18H18FNO3.
What is the molecular weight of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid?
The molecular weight of 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid is 315.13 g/mol.
Where can I buy 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid?
You can request a quote for 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-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-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[(4-Fluorophenyl)methyl]amino]carbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.