Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester
TL;DR: Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester (CAS 29440-72-0) is a chemical compound with molecular formula C16H22N2O2 and molecular weight 274.17 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-(2,6-dimethylphenyl)carbamate
Also Known As: 3-Quinuclidinyl 2,6-dimethylcarbanilate, 2,6-Dimethylcarbanilic acid 3-quinuclidinyl ester, CARBANILIC ACID, 2,6-DIMETHYL-, 3-QUINUCLIDINYL ESTER, 1-azabicyclo[2.2.2]octan-3-yl N-(2,6-dimethylphenyl)carbamate, 1-Azabicyclo[2.2.2]octan-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate
| Molecular Formula | C16H22N2O2 |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.16812 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 29440-72-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OC2CN3CCC2CC3 |
| InChIKey | AURWKKVRNIRWKR-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester (CAS 29440-72-0), with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl N-(2,6-dimethylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester
Property Insights of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,6-dimethyl-, 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, 2,6-dimethyl-, 3-quinuclidinyl ester?
The CAS number of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester is 29440-72-0.
What is the molecular formula of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester?
The molecular formula of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester is C16H22N2O2.
What is the molecular weight of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester?
The molecular weight of Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester is 274.17 g/mol.
Where can I buy Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester?
You can request a quote for Carbanilic acid, 2,6-dimethyl-, 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, 2,6-dimethyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2,6-dimethyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.