![14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline structure](/static/products/858/858748-64-8.png)
14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline
TL;DR: 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline (CAS 858748-64-8) is a chemical compound with molecular formula C37H37NO5 and molecular weight 575.27 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-9-prop-2-ynoxy-1-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2(11),3,5,7,9,12,14,16,18-nonaene
Also Known As: 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline
| Molecular Formula | C37H37NO5 |
|---|---|
| Molecular Weight | 575.27 g/mol |
| LogP | 8.2914 |
| Topological Polar Surface Area | 51.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 575.26715 |
| Heavy Atoms | 43 |
| Complexity | 1844.748 |
Chemical Identifiers
| CAS Number | 858748-64-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C5=C2C=C(C6=CC=CC=C65)OCC#C)OCC)OCC)OCC |
Product Overview
14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline (CAS 858748-64-8), with molecular formula C37H37NO5 and molecular weight 575.27 g/mol. IUPAC: 12-(3,4-diethoxyphenyl)-16,17-diethoxy-9-prop-2-ynoxy-1-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2(11),3,5,7,9,12,14,16,18-nonaene.
Chemical Property Profile of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline
Property Insights of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline
The XLogP value of 8.2914 indicates that 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.08 Ų, 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline has 0 hydrogen bond donor(s) and 5 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-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline?
The CAS number of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline is 858748-64-8.
What is the molecular formula of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline?
The molecular formula of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline is C37H37NO5.
What is the molecular weight of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline?
The molecular weight of 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline is 575.27 g/mol.
Where can I buy 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline?
You can request a quote for 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline 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-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 14-(3,4-diethoxyphenyl)-2,3-diethoxy-12-(prop-2-yn-1-yloxy)-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.