Cephaeline dihydrochloride heptahydrate
TL;DR: Cephaeline dihydrochloride heptahydrate (CAS 6487-30-5) is a chemical compound with molecular formula C28H54Cl2N2O11 and molecular weight 664.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[[(2S,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;heptahydrate;dihydrochloride
Also Known As: Cephaeline dihydrochloride heptahydrate, Cephaeline, dihydrochloride, heptahydrate, CEPHAELINE DIHYDROCHLORIDE HEPTAHYDRATE [MI], DESMETHYLEMETINE DIHYDROCHLORIDE HEPTAHYDRATE, Emetan-6'-ol, 7',10,11-trimethoxy-, dihydrochloride, heptahydrate
| Molecular Formula | C28H54Cl2N2O11 |
|---|---|
| Molecular Weight | 664.31 g/mol |
| LogP | -0.2889 |
| Topological Polar Surface Area | 283.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 664.3105 |
| Heavy Atoms | 43 |
| Complexity | 1067.8535 |
Chemical Identifiers
| CAS Number | 6487-30-5 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.O.O.O.O.O.O.O.Cl.Cl |
Product Overview
Cephaeline dihydrochloride heptahydrate (CAS 6487-30-5), with molecular formula C28H54Cl2N2O11 and molecular weight 664.31 g/mol. IUPAC: (1R)-1-[[(2S,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;heptahydrate;dihydrochloride.
Chemical Property Profile of Cephaeline dihydrochloride heptahydrate
Property Insights of Cephaeline dihydrochloride heptahydrate
The XLogP value of -0.2889 indicates that Cephaeline dihydrochloride heptahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 283.69 Ų indicates high polarity, suggesting Cephaeline dihydrochloride heptahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephaeline dihydrochloride heptahydrate has 2 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 dihydrochloride heptahydrate?
The CAS number of Cephaeline dihydrochloride heptahydrate is 6487-30-5.
What is the molecular formula of Cephaeline dihydrochloride heptahydrate?
The molecular formula of Cephaeline dihydrochloride heptahydrate is C28H54Cl2N2O11.
What is the molecular weight of Cephaeline dihydrochloride heptahydrate?
The molecular weight of Cephaeline dihydrochloride heptahydrate is 664.31 g/mol.
Where can I buy Cephaeline dihydrochloride heptahydrate?
You can request a quote for Cephaeline dihydrochloride heptahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephaeline dihydrochloride heptahydrate?
Yes, KEHONG BIO provides custom synthesis services for Cephaeline dihydrochloride heptahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.