d,l-Isopodophyllotoxone
TL;DR: d,l-Isopodophyllotoxone (CAS 55515-07-6) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
Also Known As: Podophyllotoxone, d,l-Isopodophyllotoxone, Isopicropodophyllone, Picropodophyllon, Picropodopyllotoxone
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 55515-07-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
| InChIKey | ISCQYPPCSYRZOT-UHFFFAOYSA-N |
Product Overview
d,l-Isopodophyllotoxone (CAS 55515-07-6), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: 9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione.
Chemical Property Profile of d,l-Isopodophyllotoxone
Property Insights of d,l-Isopodophyllotoxone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for d,l-Isopodophyllotoxone. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for d,l-Isopodophyllotoxone. Following Lipinski's Rule of Five, d,l-Isopodophyllotoxone 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 d,l-Isopodophyllotoxone?
The CAS number of d,l-Isopodophyllotoxone is 55515-07-6.
What is the molecular formula of d,l-Isopodophyllotoxone?
The molecular formula of d,l-Isopodophyllotoxone is C22H20O8.
What is the molecular weight of d,l-Isopodophyllotoxone?
The molecular weight of d,l-Isopodophyllotoxone is 412.12 g/mol.
Where can I buy d,l-Isopodophyllotoxone?
You can request a quote for d,l-Isopodophyllotoxone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for d,l-Isopodophyllotoxone?
Yes, KEHONG BIO provides custom synthesis services for d,l-Isopodophyllotoxone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.