CEPHAELINE HCL
TL;DR: CEPHAELINE HCL (CAS 3738-70-3) is a chemical compound with molecular formula C28H40Cl2N2O4 and molecular weight 538.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride
Also Known As: CEPHAELINE HCL, Cephaleine hydrochloride, Cephaeline, dihydrochloride, CEPHAELINE HYDROCHLORIDE, (-)-Cephaeline dihydrochloride
| Molecular Formula | C28H40Cl2N2O4 |
|---|---|
| Molecular Weight | 538.24 g/mol |
| LogP | -3.79 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.2365 |
| Heavy Atoms | 36 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 3738-70-3 |
|---|---|
| SMILES | CC[C@H]1C[NH+]2CCC3=CC(=C(C=C3C2CC1C[C@@H]4C5=CC(=C(C=C5CC[NH2+]4)O)OC)OC)OC.[Cl-].[Cl-] |
| InChIKey | YAOHSWWVTZSRQM-ILYWHXRNSA-N |
Product Overview
CEPHAELINE HCL (CAS 3738-70-3), with molecular formula C28H40Cl2N2O4 and molecular weight 538.24 g/mol. IUPAC: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride.
Chemical Property Profile of CEPHAELINE HCL
Property Insights of CEPHAELINE HCL
The XLogP value of -3.79 indicates that CEPHAELINE HCL is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CEPHAELINE HCL. Following Lipinski's Rule of Five, CEPHAELINE HCL has 3 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 CEPHAELINE HCL?
The CAS number of CEPHAELINE HCL is 3738-70-3.
What is the molecular formula of CEPHAELINE HCL?
The molecular formula of CEPHAELINE HCL is C28H40Cl2N2O4.
What is the molecular weight of CEPHAELINE HCL?
The molecular weight of CEPHAELINE HCL is 538.24 g/mol.
Where can I buy CEPHAELINE HCL?
You can request a quote for CEPHAELINE HCL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CEPHAELINE HCL?
Yes, KEHONG BIO provides custom synthesis services for CEPHAELINE HCL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.