Caephaline, derivative of
TL;DR: Caephaline, derivative of (CAS 1005116-91-5) is a chemical compound with molecular formula C38H48N2O6 and molecular weight 628.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxyphenyl)-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: Caephaline, derivative of, NPD689, J3.791.907A, AJ-292/21160013, (4-ethoxyphenyl)-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
| Molecular Formula | C38H48N2O6 |
|---|---|
| Molecular Weight | 628.35 g/mol |
| LogP | 6.8949 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 628.35126 |
| Heavy Atoms | 46 |
| Complexity | 1539.1311 |
Chemical Identifiers
| CAS Number | 1005116-91-5 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C6=CC=C(C=C6)OCC)OC)OC)OC)OC |
Product Overview
Caephaline, derivative of (CAS 1005116-91-5), with molecular formula C38H48N2O6 and molecular weight 628.35 g/mol. IUPAC: (4-ethoxyphenyl)-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of Caephaline, derivative of
Property Insights of Caephaline, derivative of
The XLogP value of 6.8949 indicates that Caephaline, derivative of is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Caephaline, derivative of. Following Lipinski's Rule of Five, Caephaline, derivative of has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caephaline, derivative of?
The CAS number of Caephaline, derivative of is 1005116-91-5.
What is the molecular formula of Caephaline, derivative of?
The molecular formula of Caephaline, derivative of is C38H48N2O6.
What is the molecular weight of Caephaline, derivative of?
The molecular weight of Caephaline, derivative of is 628.35 g/mol.
Where can I buy Caephaline, derivative of?
You can request a quote for Caephaline, derivative of directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caephaline, derivative of?
Yes, KEHONG BIO provides custom synthesis services for Caephaline, derivative of and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.