2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester
TL;DR: 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester (CAS 56125-93-0) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-azabicyclo[3.2.1]octa-3,6-diene-2-carboxylate
Also Known As: N-Carbomethoxy-2-azabicyclo 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester (CAS 56125-93-0), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: methyl 2-azabicyclo[3.2.1]octa-3,6-diene-2-carboxylate.
Molecular Formula
C9H11NO2
Molecular Weight
165.08 g/mol
LogP
1.2
Topological Polar Surface Area
29.5 Ų
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
1
Exact Mass
165.07898
Heavy Atoms
12
Complexity
257.0
Chemical Identifiers
CAS Number
56125-93-0
SMILES
COC(=O)N1C=CC2CC1C=C2
InChIKey
NTOQKCHMWUYMOV-UHFFFAOYSA-NProduct Overview
Chemical Property Profile of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester
Property Insights of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azabicyclo(3.2.1)octa-3,6-diene-2-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 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester?
The CAS number of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester is 56125-93-0.
What is the molecular formula of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester?
The molecular formula of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester is C9H11NO2.
What is the molecular weight of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester?
The molecular weight of 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester is 165.08 g/mol.
Where can I buy 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester?
You can request a quote for 2-Azabicyclo(3.2.1)octa-3,6-diene-2-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 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Azabicyclo(3.2.1)octa-3,6-diene-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.