1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
TL;DR: 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester (CAS 102571-07-3) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-(cyclopenten-1-yl)-2-hydroxypent-3-ynoate
Also Known As: 2-Methyl-3-quinuclidinyl cyclopentenyl(1-propynyl)glycolate, NCI60_022836, 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester, 3-Pentynoic acid, 2-(1-cyclopentenyl)-2-hydroxy-, 2-methyl-3-quinuclidinyl ester, 2-Methyl-1-azabicyclo[2.2.2]oct-3-yl 2-(1-cyclopenten-1-yl)-2-hydroxy-3-pentynoate
| Molecular Formula | C18H25NO3 |
|---|---|
| Molecular Weight | 303.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.18344 |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 102571-07-3 |
|---|---|
| SMILES | CC#CC(C1=CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O |
| InChIKey | UCTOEHTYBBRGKA-UHFFFAOYSA-N |
Product Overview
1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester (CAS 102571-07-3), with molecular formula C18H25NO3 and molecular weight 303.18 g/mol. IUPAC: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-(cyclopenten-1-yl)-2-hydroxypent-3-ynoate.
Chemical Property Profile of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
Property Insights of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-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 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
The CAS number of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester is 102571-07-3.
What is the molecular formula of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular formula of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester is C18H25NO3.
What is the molecular weight of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular weight of 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester is 303.18 g/mol.
Where can I buy 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
You can request a quote for 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-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 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopenteneglycolic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.