5,14-Epi-28,30-dinorquassinoid
TL;DR: 5,14-Epi-28,30-dinorquassinoid (CAS 74915-13-2) is a chemical compound with molecular formula C22H32O6 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyloxy-2,14-dimethyl-11-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-14-carboxylate
Also Known As: 5,14-Epi-28,30-dinorquassinoid, Methyl 3alpha-acetoxy-13alpha-carbomethoxy-16-oxo-17-oxa-13,17-seco-7alpha,17-cyclo-5beta-androstane, methyl 9-(acetyloxy)-3,11a-dimethyl-5-oxohexadecahydrodibenzo[de,g]chromene-3-carboxylate, 4,20-Dinorpicrasane-13-carboxylic acid, 3-(acetyloxy)-16-oxo-, methyl ester, (3alpha,5beta,13beta,14alpha)-, Methyl 9-(acetyloxy)-3,11a-dimethyl-5-oxohexadecahydrophenanthro[10,1-bc]pyran-3-carboxylate
| Molecular Formula | C22H32O6 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.21988 |
| Heavy Atoms | 28 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 74915-13-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3CCC(C4C3C(CC2C1)OC(=O)C4)(C)C(=O)OC)C |
| InChIKey | VMBXOXQCDZJGAS-UHFFFAOYSA-N |
Product Overview
5,14-Epi-28,30-dinorquassinoid (CAS 74915-13-2), with molecular formula C22H32O6 and molecular weight 392.22 g/mol. IUPAC: methyl 5-acetyloxy-2,14-dimethyl-11-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-14-carboxylate.
Chemical Property Profile of 5,14-Epi-28,30-dinorquassinoid
Property Insights of 5,14-Epi-28,30-dinorquassinoid
The XLogP value of 3.4 indicates that 5,14-Epi-28,30-dinorquassinoid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,14-Epi-28,30-dinorquassinoid. Following Lipinski's Rule of Five, 5,14-Epi-28,30-dinorquassinoid has 0 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 5,14-Epi-28,30-dinorquassinoid?
The CAS number of 5,14-Epi-28,30-dinorquassinoid is 74915-13-2.
What is the molecular formula of 5,14-Epi-28,30-dinorquassinoid?
The molecular formula of 5,14-Epi-28,30-dinorquassinoid is C22H32O6.
What is the molecular weight of 5,14-Epi-28,30-dinorquassinoid?
The molecular weight of 5,14-Epi-28,30-dinorquassinoid is 392.22 g/mol.
Where can I buy 5,14-Epi-28,30-dinorquassinoid?
You can request a quote for 5,14-Epi-28,30-dinorquassinoid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,14-Epi-28,30-dinorquassinoid?
Yes, KEHONG BIO provides custom synthesis services for 5,14-Epi-28,30-dinorquassinoid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.