3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester
TL;DR: 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester (CAS 101564-61-8) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 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-5-methyl-2-propan-2-ylhex-5-en-3-ynoate
Also Known As: NCI60_022806, 3-Quinuclidyl isopropyl(3-methylbut-1-yn-3-enyl)glycolate A, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate, 3-HEXYN-5-ENOIC ACID, 2-HYDROXY-2-ISOPROPYL-5-METHYL-, 3-QUINUCLIDINYL ESTER, 5-Hexen-3-ynoic acid,2-hydroxy-5-methyl-2-(1-methylethyl)-, 1-azabicyclo[2.2.2]oct-3-yl ester
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 101564-61-8 |
|---|---|
| SMILES | CC(C)C(C#CC(=C)C)(C(=O)OC1CN2CCC1CC2)O |
| InChIKey | OIPYMFMOSBQFCM-UHFFFAOYSA-N |
Product Overview
3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester (CAS 101564-61-8), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate.
Chemical Property Profile of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester
Property Insights of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester
The XLogP value of 3.1 indicates that 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 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, 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-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 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester?
The CAS number of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester is 101564-61-8.
What is the molecular formula of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester?
The molecular formula of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester is C17H25NO3.
What is the molecular weight of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester?
The molecular weight of 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester is 291.18 g/mol.
Where can I buy 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester?
You can request a quote for 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-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 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.