Seneciphylline, hydrochloride
TL;DR: Seneciphylline, hydrochloride (CAS 1098-44-8) is a chemical compound with molecular formula C18H24ClNO5 and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4E,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride
Also Known As: Jacodine hydrochloride, Seneciphyllin hydrochloride, Seneciphylline, hydrochloride, NCI-C61165, Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-, hydrochloride
| Molecular Formula | C18H24ClNO5 |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 1.5347 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 369.1343 |
| Heavy Atoms | 25 |
| Complexity | 651.85187 |
Chemical Identifiers
| CAS Number | 1098-44-8 |
|---|---|
| SMILES | C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O.Cl |
Product Overview
Seneciphylline, hydrochloride (CAS 1098-44-8), with molecular formula C18H24ClNO5 and molecular weight 369.13 g/mol. IUPAC: (1R,4E,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride.
Chemical Property Profile of Seneciphylline, hydrochloride
Property Insights of Seneciphylline, hydrochloride
The XLogP value of 1.5347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Seneciphylline, hydrochloride. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Seneciphylline, hydrochloride. Following Lipinski's Rule of Five, Seneciphylline, hydrochloride has 1 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 Seneciphylline, hydrochloride?
The CAS number of Seneciphylline, hydrochloride is 1098-44-8.
What is the molecular formula of Seneciphylline, hydrochloride?
The molecular formula of Seneciphylline, hydrochloride is C18H24ClNO5.
What is the molecular weight of Seneciphylline, hydrochloride?
The molecular weight of Seneciphylline, hydrochloride is 369.13 g/mol.
Where can I buy Seneciphylline, hydrochloride?
You can request a quote for Seneciphylline, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seneciphylline, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Seneciphylline, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.