(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
TL;DR: (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin (CAS 11350-35-9) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2,3-dimethyloxirane-2-carboxylate
Also Known As: Isoepoxypteryxin, (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin, [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2,3-dimethyloxirane-2-carboxylate, (3 R,4 R)-3 -Epoxyangeloyloxy-4 -acetoxy-3 ,4 -dihydroseselin, (9R,10R)-10-(acetyloxy)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 2,3-dimethyloxirane-2-carboxylate
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 11350-35-9 |
|---|---|
| SMILES | CC1C(O1)(C)C(=O)O[C@@H]2[C@@H](C3=C(C=CC4=C3OC(=O)C=C4)OC2(C)C)OC(=O)C |
| InChIKey | JATBXVRRSYYPIL-SKGLXBPESA-N |
Product Overview
(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin (CAS 11350-35-9), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2,3-dimethyloxirane-2-carboxylate.
Chemical Property Profile of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
Property Insights of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin. Following Lipinski's Rule of Five, (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin has 0 hydrogen bond donor(s) and 8 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 (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin?
The CAS number of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin is 11350-35-9.
What is the molecular formula of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin?
The molecular formula of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin is C21H22O8.
What is the molecular weight of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin?
The molecular weight of (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin is 402.13 g/mol.
Where can I buy (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin?
You can request a quote for (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin?
Yes, KEHONG BIO provides custom synthesis services for (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.