Carbanilic acid, o-methyl-, 3-quinuclidinyl ester
TL;DR: Carbanilic acid, o-methyl-, 3-quinuclidinyl ester (CAS 29440-71-9) is a chemical compound with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl N-(2-methylphenyl)carbamate
Also Known As: Maybridge2_000464, o-Methylcarbanilic acid 3-quinuclidinyl ester, CARBANILIC ACID, o-METHYL-, 3-QUINUCLIDINYL ESTER, 1-azabicyclo[2.2.2]octan-3-yl N-(2-methylphenyl)carbamate, 1-Azabicyclo[2.2.2]octan-3-yl hydrogen (2-methylphenyl)carbonimidate
| Molecular Formula | C15H20N2O2 |
|---|---|
| Molecular Weight | 260.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.15247 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 29440-71-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3 |
| InChIKey | JZGDWROMWFPLTM-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, o-methyl-, 3-quinuclidinyl ester (CAS 29440-71-9), with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl N-(2-methylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester
Property Insights of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-methyl-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, o-methyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, o-methyl-, 3-quinuclidinyl ester has 1 hydrogen bond donor(s) and 3 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 Carbanilic acid, o-methyl-, 3-quinuclidinyl ester?
The CAS number of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester is 29440-71-9.
What is the molecular formula of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester?
The molecular formula of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester is C15H20N2O2.
What is the molecular weight of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester?
The molecular weight of Carbanilic acid, o-methyl-, 3-quinuclidinyl ester is 260.15 g/mol.
Where can I buy Carbanilic acid, o-methyl-, 3-quinuclidinyl ester?
You can request a quote for Carbanilic acid, o-methyl-, 3-quinuclidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, o-methyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, o-methyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.