Cynaratriol
TL;DR: Cynaratriol (CAS 70894-20-1) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aS,6aS,8R,9R,9aS,9bS)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one
Also Known As: Cynaratriol, Tipropidil, Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-, (3R-(3alpha,3aalpha,6aalpha,8beta,9alpha,9aalpha,9bbeta))-, (3R,3aS,6aS,8R,9R,9aS,9bS)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one, (3R,3aS,6aS,8R,9R,9aS,9bS)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 70894-20-1 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@H]2[C@@H]1[C@H]3[C@H](CCC2=C)[C@](C(=O)O3)(CO)O)O |
| InChIKey | OHBHGGYGWZIWCX-VCSRPQGHSA-N |
Product Overview
Cynaratriol (CAS 70894-20-1), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: (3R,3aS,6aS,8R,9R,9aS,9bS)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one.
Chemical Property Profile of Cynaratriol
Property Insights of Cynaratriol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cynaratriol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cynaratriol. Following Lipinski's Rule of Five, Cynaratriol has 3 hydrogen bond donor(s) and 5 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 Cynaratriol?
The CAS number of Cynaratriol is 70894-20-1.
What is the molecular formula of Cynaratriol?
The molecular formula of Cynaratriol is C15H22O5.
What is the molecular weight of Cynaratriol?
The molecular weight of Cynaratriol is 282.15 g/mol.
Where can I buy Cynaratriol?
You can request a quote for Cynaratriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cynaratriol?
Yes, KEHONG BIO provides custom synthesis services for Cynaratriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.