Cymarol
TL;DR: Cymarol (CAS 465-84-9) is a chemical compound with molecular formula C30H46O9 and molecular weight 550.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,14-dihydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-13-methylspiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one
Also Known As: Cymarol, Strophandiol-D-cymarosid, Strophandiol-D-cymarosid [German], 19-trihydroxy-,(3-beta,5-beta)-14, 5-18-05-00096 (Beilstein Handbook Reference)
| Molecular Formula | C30H46O9 |
|---|---|
| Molecular Weight | 550.31 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.3142 |
| Heavy Atoms | 39 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 465-84-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C6(CCC5(C4CCC3(C2)O)O)COC(=O)C=C6)C)CO)OC)O |
| InChIKey | FCBBZANVPISMIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cymarol (CAS 465-84-9), with molecular formula C30H46O9 and molecular weight 550.31 g/mol. IUPAC: 5,14-dihydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-13-methylspiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one.
Chemical Property Profile of Cymarol
Property Insights of Cymarol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cymarol. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cymarol. Following Lipinski's Rule of Five, Cymarol has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cymarol?
The CAS number of Cymarol is 465-84-9.
What is the molecular formula of Cymarol?
The molecular formula of Cymarol is C30H46O9.
What is the molecular weight of Cymarol?
The molecular weight of Cymarol is 550.31 g/mol.
Where can I buy Cymarol?
You can request a quote for Cymarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cymarol?
Yes, KEHONG BIO provides custom synthesis services for Cymarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.