3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester
TL;DR: 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester (CAS 10199-57-2) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 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-hydroxy-2-prop-1-ynylpent-3-ynoate
Also Known As: 3-Quinuclidyl di-(1-propynyl)glycolate, NCI60_022767, 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester, 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid, 1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-(1-propynyl)-3-pentynoate
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 10199-57-2 |
|---|---|
| SMILES | CC#CC(C#CC)(C(=O)OC1CN2CCC1CC2)O |
| InChIKey | PSNXEMLZSUPRKP-UHFFFAOYSA-N |
Product Overview
3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester (CAS 10199-57-2), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-prop-1-ynylpent-3-ynoate.
Chemical Property Profile of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester
Property Insights of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 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 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester?
The CAS number of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester is 10199-57-2.
What is the molecular formula of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester?
The molecular formula of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester is C15H19NO3.
What is the molecular weight of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester?
The molecular weight of 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester is 261.14 g/mol.
Where can I buy 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester?
You can request a quote for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 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 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.