Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride
TL;DR: Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride (CAS 29440-70-8) is a chemical compound with molecular formula C15H20Cl2N2O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azoniabicyclo[2.2.2]octan-3-yl N-(2-chloro-6-methylphenyl)carbamate chloride
Also Known As: 2-Chloro-6-methylcarbanilic acid 3-quinuclidinyl ester hydrochloride, CARBANILIC ACID, 2-CHLORO-6-METHYL-, 3-QUINUCLIDINYL ESTER, MONOHYDROCHLORIDE, 1-Azoniabicyclo[2.2.2]octan-8-yl N-(2-chloro-6-methylphenyl)carbamatechloride, 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-chloro-6-methylphenyl)carbamate chloride, RefChem:332938
| Molecular Formula | C15H20Cl2N2O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | -1.12 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.09018 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 29440-70-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2C[NH+]3CCC2CC3.[Cl-] |
| InChIKey | WTTDFDIVNVDRHP-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride (CAS 29440-70-8), with molecular formula C15H20Cl2N2O2 and molecular weight 330.09 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-chloro-6-methylphenyl)carbamate chloride.
Chemical Property Profile of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride
Property Insights of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride
The XLogP value of -1.12 indicates that Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride has 2 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-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride?
The CAS number of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride is 29440-70-8.
What is the molecular formula of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride?
The molecular formula of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride is C15H20Cl2N2O2.
What is the molecular weight of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride?
The molecular weight of Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride is 330.09 g/mol.
Where can I buy Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride?
You can request a quote for Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride 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-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-chloro-6-methyl-, 3-quinuclidinyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.