![14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate structure](/static/products/858/858747-34-9.png)
14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate
TL;DR: 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate (CAS 858747-34-9) is a chemical compound with molecular formula C36H37NO6 and molecular weight 579.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-(3,4-diethoxyphenyl)-16,17-diethoxy-1-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2(11),3,5,7,9,12,14,16,18-nonaen-9-yl] acetate
Also Known As: 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate
| Molecular Formula | C36H37NO6 |
|---|---|
| Molecular Weight | 579.26 g/mol |
| LogP | 8.2047 |
| Topological Polar Surface Area | 68.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 579.2621 |
| Heavy Atoms | 43 |
| Complexity | 1835.9539 |
Chemical Identifiers
| CAS Number | 858747-34-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C5=C2C=C(C6=CC=CC=C65)OC(=O)C)OCC)OCC)OCC |
Product Overview
14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate (CAS 858747-34-9), with molecular formula C36H37NO6 and molecular weight 579.26 g/mol. IUPAC: [12-(3,4-diethoxyphenyl)-16,17-diethoxy-1-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2(11),3,5,7,9,12,14,16,18-nonaen-9-yl] acetate.
Chemical Property Profile of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate
Property Insights of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate
The XLogP value of 8.2047 indicates that 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate. Following Lipinski's Rule of Five, 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate?
The CAS number of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate is 858747-34-9.
What is the molecular formula of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate?
The molecular formula of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate is C36H37NO6.
What is the molecular weight of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate?
The molecular weight of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate is 579.26 g/mol.
Where can I buy 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate?
You can request a quote for 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.