(Octahydroquinolizin-1-yl)methyl 3-bromobenzoate
TL;DR: (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate (CAS 329720-38-9) is a chemical compound with molecular formula C17H22BrNO2 and molecular weight 351.08 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-ylmethyl 3-bromobenzoate
Also Known As: (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate, 11-O-Benzoyl-4-hydroxyepilupinine, derivative of, (6-azabicyclo[4.4.0]dec-2-yl)methyl 3-bromobenzoate, (octahydro-1H-quinolizin-1-yl)methyl 3-bromobenzoate, Octahydro-2H-quinolizin-1-ylmethyl 3-bromobenzoate #
| Molecular Formula | C17H22BrNO2 |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0834 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 329720-38-9 |
|---|---|
| SMILES | C1CCN2CCCC(C2C1)COC(=O)C3=CC(=CC=C3)Br |
| InChIKey | AGZJPXXQAWUYDC-UHFFFAOYSA-N |
Product Overview
(Octahydroquinolizin-1-yl)methyl 3-bromobenzoate (CAS 329720-38-9), with molecular formula C17H22BrNO2 and molecular weight 351.08 g/mol. IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-bromobenzoate.
Chemical Property Profile of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate
Property Insights of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate
The XLogP value of 4.2 indicates that (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate 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 (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate?
The CAS number of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate is 329720-38-9.
What is the molecular formula of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate?
The molecular formula of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate is C17H22BrNO2.
What is the molecular weight of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate?
The molecular weight of (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate is 351.08 g/mol.
Where can I buy (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate?
You can request a quote for (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Octahydroquinolizin-1-yl)methyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.