Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester
TL;DR: Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester (CAS 101913-73-9) is a chemical compound with molecular formula C17H29NO3 and molecular weight 295.21 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-en-2-ylheptanoate
Also Known As: 3-Quinuclidyl-n-amyl(isopropentyl)glycolate, HEPTANOIC ACID, 2-HYDROXY-2-ISOPROPENTYL-, 3-QUINUCLIDINYL ESTER, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-prop-1-en-2-ylheptanoate, 1-AZABICYCLO[2.2.2]OCTAN-3-YL 2-HYDROXY-2-(PROP-1-EN-2-YL)HEPTANOATE, 2-Hydroxy-2-(1-methylvinyl)heptanoic acid quinuclidin-3-yl ester
| Molecular Formula | C17H29NO3 |
|---|---|
| Molecular Weight | 295.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.21475 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 101913-73-9 |
|---|---|
| SMILES | CCCCCC(C(=C)C)(C(=O)OC1CN2CCC1CC2)O |
| InChIKey | PEBZLKBQSSWGNN-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester (CAS 101913-73-9), with molecular formula C17H29NO3 and molecular weight 295.21 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-prop-1-en-2-ylheptanoate.
Chemical Property Profile of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester
Property Insights of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester
The XLogP value of 3.7 indicates that Heptanoic acid, 2-hydroxy-2-isopropentyl-, 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, Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 2-hydroxy-2-isopropentyl-, 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 Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester?
The CAS number of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester is 101913-73-9.
What is the molecular formula of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester?
The molecular formula of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester is C17H29NO3.
What is the molecular weight of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester?
The molecular weight of Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester is 295.21 g/mol.
Where can I buy Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester?
You can request a quote for Heptanoic acid, 2-hydroxy-2-isopropentyl-, 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 Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.