Octahydro-2H-quinolizin-1-yl 2-methylbutanoate
TL;DR: Octahydro-2H-quinolizin-1-yl 2-methylbutanoate (CAS 16899-89-1) is a chemical compound with molecular formula C14H25NO2 and molecular weight 239.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate
Also Known As: Octahydro-2H-quinolizin-1-yl 2-methylbutanoate, trans-Octahydro-2H-quinolizin-1-ol 2-methylbutyrate hydrochloride, 2H-Quinolizin-1-ol, octahydro-, 2-methylbutyrate (ester), hydrochloride, (E)-, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate, RefChem:1093778
| Molecular Formula | C14H25NO2 |
|---|---|
| Molecular Weight | 239.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.18852 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 16899-89-1 |
|---|---|
| SMILES | CCC(C)C(=O)OC1CCCN2C1CCCC2 |
| InChIKey | VWDPBZTZGXXQHK-UHFFFAOYSA-N |
Product Overview
Octahydro-2H-quinolizin-1-yl 2-methylbutanoate (CAS 16899-89-1), with molecular formula C14H25NO2 and molecular weight 239.19 g/mol. IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate.
Chemical Property Profile of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate
Property Insights of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate
The XLogP value of 3.0 indicates that Octahydro-2H-quinolizin-1-yl 2-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Octahydro-2H-quinolizin-1-yl 2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-2H-quinolizin-1-yl 2-methylbutanoate has 0 hydrogen bond donor(s) and 3 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 Octahydro-2H-quinolizin-1-yl 2-methylbutanoate?
The CAS number of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate is 16899-89-1.
What is the molecular formula of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate?
The molecular formula of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate is C14H25NO2.
What is the molecular weight of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate?
The molecular weight of Octahydro-2H-quinolizin-1-yl 2-methylbutanoate is 239.19 g/mol.
Where can I buy Octahydro-2H-quinolizin-1-yl 2-methylbutanoate?
You can request a quote for Octahydro-2H-quinolizin-1-yl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-2H-quinolizin-1-yl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-2H-quinolizin-1-yl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.