Cinchonain Ia
TL;DR: Cinchonain Ia (CAS 85081-24-9) is a chemical compound with molecular formula C24H20O9 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one
Also Known As: cinchonain Ia, cinchonain Ib, Cinchonain 1a, (-)-Cinchonain IA, Cinchona-1a\, (-)-Chinchonain IA
| Molecular Formula | C24H20O9 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.11072 |
| Heavy Atoms | 33 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 85081-24-9 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H](CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O |
| InChIKey | LKCOZWLUAKSRQM-UMAWSMADSA-N |
Product Overview
Cinchonain Ia (CAS 85081-24-9), with molecular formula C24H20O9 and molecular weight 452.11 g/mol. IUPAC: (2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one.
Chemical Property Profile of Cinchonain Ia
Property Insights of Cinchonain Ia
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchonain Ia. The TPSA of 157.0 Ų indicates high polarity, suggesting Cinchonain Ia may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinchonain Ia has 6 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 Cinchonain Ia?
The CAS number of Cinchonain Ia is 85081-24-9.
What is the molecular formula of Cinchonain Ia?
The molecular formula of Cinchonain Ia is C24H20O9.
What is the molecular weight of Cinchonain Ia?
The molecular weight of Cinchonain Ia is 452.11 g/mol.
Where can I buy Cinchonain Ia?
You can request a quote for Cinchonain Ia directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchonain Ia?
Yes, KEHONG BIO provides custom synthesis services for Cinchonain Ia and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.