Podophyllotoxin acetate
TL;DR: Podophyllotoxin acetate (CAS 6639-22-1) is a chemical compound with molecular formula C24H24O9 and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
Also Known As: Podophyllotoxin acetate, KST-1A7308, (5s,5as,8ar,9r)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl acetate, [(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate, Furo(3'4:6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(acetyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8abeta,9beta))-
| Molecular Formula | C24H24O9 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.14203 |
| Heavy Atoms | 33 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 6639-22-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC |
| InChIKey | SASVNKPCTLROPQ-ZHHJKBAOSA-N |
Product Overview
Podophyllotoxin acetate (CAS 6639-22-1), with molecular formula C24H24O9 and molecular weight 456.14 g/mol. IUPAC: [(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate.
Chemical Property Profile of Podophyllotoxin acetate
Property Insights of Podophyllotoxin acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Podophyllotoxin acetate. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Podophyllotoxin acetate. Following Lipinski's Rule of Five, Podophyllotoxin acetate has 0 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 Podophyllotoxin acetate?
The CAS number of Podophyllotoxin acetate is 6639-22-1.
What is the molecular formula of Podophyllotoxin acetate?
The molecular formula of Podophyllotoxin acetate is C24H24O9.
What is the molecular weight of Podophyllotoxin acetate?
The molecular weight of Podophyllotoxin acetate is 456.14 g/mol.
Where can I buy Podophyllotoxin acetate?
You can request a quote for Podophyllotoxin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podophyllotoxin acetate?
Yes, KEHONG BIO provides custom synthesis services for Podophyllotoxin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.