((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate
TL;DR: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate (CAS 1212430-40-4) is a chemical compound with molecular formula C19H26BrNO3 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-(3-bromo-4-methoxyphenyl)acetate
Also Known As: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 2-(3-bromo-4-methoxy-phenyl)acetate, [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-(3-bromo-4-methoxyphenyl)acetate
| Molecular Formula | C19H26BrNO3 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.8079 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.10962 |
| Heavy Atoms | 24 |
| Complexity | 575.73035 |
Chemical Identifiers
| CAS Number | 1212430-40-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)OC[C@@H]2CCCN3[C@@H]2CCCC3)Br |
Product Overview
((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate (CAS 1212430-40-4), with molecular formula C19H26BrNO3 and molecular weight 395.11 g/mol. IUPAC: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-(3-bromo-4-methoxyphenyl)acetate.
Chemical Property Profile of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate
Property Insights of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate
The XLogP value of 3.8079 indicates that ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate has 0 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 ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate?
The CAS number of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate is 1212430-40-4.
What is the molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate?
The molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate is C19H26BrNO3.
What is the molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate?
The molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate is 395.11 g/mol.
Where can I buy ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate?
You can request a quote for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 2-(3-bromo-4-methoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.