3-奎宁环醇乙基碳酸酯
TL;DR: 3-奎宁环醇乙基碳酸酯 (CAS 101418-12-6) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-奎宁环醇乙基碳酸酯
1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate
Also Known As: Ethyl 3-quinuclidinyl carbonate, CARBONIC ACID, ETHYL 3-QUINUCLIDINYL ESTER, 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate, Carbonic acid ethyl 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]oct-3-yl ethyl carbonate
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 101418-12-6 |
|---|---|
| SMILES | CCOC(=O)OC1CN2CCC1CC2 |
| InChIKey | AEHHEWLGTKWBQI-UHFFFAOYSA-N |
Product Overview
3-奎宁环醇乙基碳酸酯 (CAS 101418-12-6), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate.
Chemical Property Profile of 3-奎宁环醇乙基碳酸酯
Property Insights of 3-奎宁环醇乙基碳酸酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-奎宁环醇乙基碳酸酯. With a topological polar surface area (TPSA) of 38.8 Ų, 3-奎宁环醇乙基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-奎宁环醇乙基碳酸酯 has 0 hydrogen bond donor(s) and 4 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-奎宁环醇乙基碳酸酯?
The CAS number of 3-奎宁环醇乙基碳酸酯 is 101418-12-6.
What is the molecular formula of 3-奎宁环醇乙基碳酸酯?
The molecular formula of 3-奎宁环醇乙基碳酸酯 is C10H17NO3.
What is the molecular weight of 3-奎宁环醇乙基碳酸酯?
The molecular weight of 3-奎宁环醇乙基碳酸酯 is 199.12 g/mol.
Where can I buy 3-奎宁环醇乙基碳酸酯?
You can request a quote for 3-奎宁环醇乙基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-奎宁环醇乙基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-奎宁环醇乙基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.