Clitoriacetal
TL;DR: Clitoriacetal (CAS 64461-44-5) is a chemical compound with molecular formula C19H18O9 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Also Known As: Clitoriacetal, (1)Benzopyrano(3,4-b)(1)benzopyran-12(6H)-one, 6a,12a-dihydro-6,1,12a-trihydroxy-2,3,9-trimethoxy-, (6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one, 6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno(3,4-b)chromen-12-one, (6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno(3,4-b)chromen-12-one
| Molecular Formula | C19H18O9 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.0951 |
| Heavy Atoms | 28 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 64461-44-5 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)O[C@@H]3[C@@H](OC4=CC(=C(C=C4[C@@]3(C2=O)O)OC)OC)O)O |
| InChIKey | CJIMGNHPOXRALG-QRVBRYPASA-N |
Product Overview
Clitoriacetal (CAS 64461-44-5), with molecular formula C19H18O9 and molecular weight 390.10 g/mol. IUPAC: (6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one.
Chemical Property Profile of Clitoriacetal
Property Insights of Clitoriacetal
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clitoriacetal. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Clitoriacetal. Following Lipinski's Rule of Five, Clitoriacetal has 3 hydrogen bond donor(s) and 9 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 Clitoriacetal?
The CAS number of Clitoriacetal is 64461-44-5.
What is the molecular formula of Clitoriacetal?
The molecular formula of Clitoriacetal is C19H18O9.
What is the molecular weight of Clitoriacetal?
The molecular weight of Clitoriacetal is 390.10 g/mol.
Where can I buy Clitoriacetal?
You can request a quote for Clitoriacetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clitoriacetal?
Yes, KEHONG BIO provides custom synthesis services for Clitoriacetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.