Podophyllotoxin, 4 beta-deoxy
TL;DR: Podophyllotoxin, 4 beta-deoxy (CAS 17301-90-5) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Hernandion, (-)-Deoxyisopodophyllotoxin, PODOPHYLLOTOXIN, 4 BETA-DEOXY, (10S,11R,15R)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one, (5S)-5,5aalpha,8abeta,9-Tetrahydro-5alpha-(3,4,5-trimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 17301-90-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O |
| InChIKey | ZGLXUQQMLLIKAN-MRFFXTKBSA-N |
Product Overview
Podophyllotoxin, 4 beta-deoxy (CAS 17301-90-5), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: (5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
Chemical Property Profile of Podophyllotoxin, 4 beta-deoxy
Property Insights of Podophyllotoxin, 4 beta-deoxy
The XLogP value of 3.1 indicates that Podophyllotoxin, 4 beta-deoxy is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Podophyllotoxin, 4 beta-deoxy. Following Lipinski's Rule of Five, Podophyllotoxin, 4 beta-deoxy has 0 hydrogen bond donor(s) and 7 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, 4 beta-deoxy?
The CAS number of Podophyllotoxin, 4 beta-deoxy is 17301-90-5.
What is the molecular formula of Podophyllotoxin, 4 beta-deoxy?
The molecular formula of Podophyllotoxin, 4 beta-deoxy is C22H22O7.
What is the molecular weight of Podophyllotoxin, 4 beta-deoxy?
The molecular weight of Podophyllotoxin, 4 beta-deoxy is 398.14 g/mol.
Where can I buy Podophyllotoxin, 4 beta-deoxy?
You can request a quote for Podophyllotoxin, 4 beta-deoxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podophyllotoxin, 4 beta-deoxy?
Yes, KEHONG BIO provides custom synthesis services for Podophyllotoxin, 4 beta-deoxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.