3-Quinuclidinecarboxy-2',6-xylidide HCl
TL;DR: 3-Quinuclidinecarboxy-2',6-xylidide HCl (CAS 80745-32-0) is a chemical compound with molecular formula C16H23ClN2O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
Also Known As: EO 122, 3-Quinuclidinecarboxy-2',6-xylidide HCl, 3-Quinuclidinecarboxy-2',6-xylidide, monohydrochloride, Quinuclidine-3-carboxylicacid2',6'-xylididehydrochloride, 3-Quinuclidinecarboxy-2',6-xylidide,monohydrochloride
| Molecular Formula | C16H23ClN2O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 3.00554 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.1499 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 80745-32-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2CN3CCC2CC3.Cl |
| InChIKey | GTSRHNPCDKADLH-UHFFFAOYSA-N |
Product Overview
3-Quinuclidinecarboxy-2',6-xylidide HCl (CAS 80745-32-0), with molecular formula C16H23ClN2O and molecular weight 294.15 g/mol. IUPAC: N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride.
Chemical Property Profile of 3-Quinuclidinecarboxy-2',6-xylidide HCl
Property Insights of 3-Quinuclidinecarboxy-2',6-xylidide HCl
The XLogP value of 3.00554 indicates that 3-Quinuclidinecarboxy-2',6-xylidide HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3-Quinuclidinecarboxy-2',6-xylidide HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinecarboxy-2',6-xylidide HCl has 2 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 3-Quinuclidinecarboxy-2',6-xylidide HCl?
The CAS number of 3-Quinuclidinecarboxy-2',6-xylidide HCl is 80745-32-0.
What is the molecular formula of 3-Quinuclidinecarboxy-2',6-xylidide HCl?
The molecular formula of 3-Quinuclidinecarboxy-2',6-xylidide HCl is C16H23ClN2O.
What is the molecular weight of 3-Quinuclidinecarboxy-2',6-xylidide HCl?
The molecular weight of 3-Quinuclidinecarboxy-2',6-xylidide HCl is 294.15 g/mol.
Where can I buy 3-Quinuclidinecarboxy-2',6-xylidide HCl?
You can request a quote for 3-Quinuclidinecarboxy-2',6-xylidide HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinecarboxy-2',6-xylidide HCl?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinecarboxy-2',6-xylidide HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.