Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester
TL;DR: Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester (CAS 101952-58-3) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 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 2-cyclopentyl-2-hydroxyhex-3-ynoate
Also Known As: 3-Quinuclidyl cyclopentyl(1-butynyl)glycolate A, 3-Quinuclidyl cyclopentyl(1-butynyl)glycolate B, NCI60_022727, 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyhex-3-ynoate, alpha-(1-Butynyl)cyclopentaneglycolic acid 3-quinuclidinyl ester
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 101952-58-3 |
|---|---|
| SMILES | CCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O |
| InChIKey | CMEALEXDKQTIIP-UHFFFAOYSA-N |
Product Overview
Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester (CAS 101952-58-3), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyhex-3-ynoate.
Chemical Property Profile of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester
Property Insights of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester
The XLogP value of 3.0 indicates that Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester has 1 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 Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester?
The CAS number of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester is 101952-58-3.
What is the molecular formula of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester?
The molecular formula of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester is C18H27NO3.
What is the molecular weight of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester?
The molecular weight of Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester is 305.20 g/mol.
Where can I buy Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester?
You can request a quote for Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 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 Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.