4'-O-Demethyl-4beta-benzoylpodophyllotoxin
TL;DR: 4'-O-Demethyl-4beta-benzoylpodophyllotoxin (CAS 111712-28-8) is a chemical compound with molecular formula C28H24O9 and molecular weight 504.14203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] benzoate
Also Known As: 4'-O-Demethyl-4beta-benzoylpodophyllotoxin, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(benzoyloxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-, (10S,11R,15R,16R)-16-(4-hydroxy-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-10-yl benzoate, (5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,5-dimethoxy-4-hydroxyphenyl)-9alpha-(benzoyloxy)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one, (5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl benzoate
Technical Specifications
| Molecular Formula | C28H24O9 |
| Molecular Weight | 504.14203 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.14203 Da |
| Heavy Atoms | 37 |
| Complexity | 830.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=CC=C6 |
| InChIKey | UILRVLMYVFCLQD-DLTDCEFJSA-N |
Chemical Property Profile of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin
Property Insights of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin
The XLogP value of 3.9 indicates that 4'-O-Demethyl-4beta-benzoylpodophyllotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-O-Demethyl-4beta-benzoylpodophyllotoxin. Following Lipinski's Rule of Five, 4'-O-Demethyl-4beta-benzoylpodophyllotoxin has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin?
The CAS number of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin is 111712-28-8.
What is the molecular formula of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin?
The molecular formula of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin is C28H24O9.
What is the molecular weight of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin?
The molecular weight of 4'-O-Demethyl-4beta-benzoylpodophyllotoxin is 504.14203 g/mol.
Where can I buy 4'-O-Demethyl-4beta-benzoylpodophyllotoxin?
You can request a quote for 4'-O-Demethyl-4beta-benzoylpodophyllotoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-O-Demethyl-4beta-benzoylpodophyllotoxin?
Yes, CoreyChem provides custom synthesis services for 4'-O-Demethyl-4beta-benzoylpodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.