Cephaeline
TL;DR: Cephaeline (CAS 60263-07-2) is a chemical compound with molecular formula C28H38N2O4 and molecular weight 466.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Also Known As: Cephaeline, Cephaelin, KST-1A6422, (2xi)-7',10,11-trimethoxyemetan-6'-ol, (1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
| Molecular Formula | C28H38N2O4 |
|---|---|
| Molecular Weight | 466.28 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.28317 |
| Heavy Atoms | 34 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 60263-07-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC |
| InChIKey | DTGZHCFJNDAHEN-KTHHGNHXSA-N |
Product Overview
Cephaeline (CAS 60263-07-2), with molecular formula C28H38N2O4 and molecular weight 466.28 g/mol. IUPAC: (1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol.
Chemical Property Profile of Cephaeline
Property Insights of Cephaeline
The XLogP value of 4.4 indicates that Cephaeline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cephaeline. Following Lipinski's Rule of Five, Cephaeline has 2 hydrogen bond donor(s) and 6 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 Cephaeline?
The CAS number of Cephaeline is 60263-07-2.
What is the molecular formula of Cephaeline?
The molecular formula of Cephaeline is C28H38N2O4.
What is the molecular weight of Cephaeline?
The molecular weight of Cephaeline is 466.28 g/mol.
Where can I buy Cephaeline?
You can request a quote for Cephaeline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephaeline?
Yes, KEHONG BIO provides custom synthesis services for Cephaeline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.