7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
TL;DR: 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester (CAS 83060-75-7) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
Also Known As: 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester, methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate, 7-Azabicyclo[2.2.1]heptadiene-7-carboxylic acid, methyl ester, 7-Azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylicacid, methyl ester, 7-Azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid, methyl ester (9CI)
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 83060-75-7 |
|---|---|
| SMILES | COC(=O)N1C2C=CC1C=C2 |
| InChIKey | GOUQEOKPYFEDKY-UHFFFAOYSA-N |
Product Overview
7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester (CAS 83060-75-7), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate.
Chemical Property Profile of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
Property Insights of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester has 0 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 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester?
The CAS number of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester is 83060-75-7.
What is the molecular formula of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester?
The molecular formula of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester is C8H9NO2.
What is the molecular weight of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester?
The molecular weight of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester is 151.06 g/mol.
Where can I buy 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester?
You can request a quote for 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.