Lignans
TL;DR: Lignans (CAS 158933-35-8) is a chemical compound with molecular formula C22H22O8 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: Lignans, podophyllotoxin, Picropodophyllin, Neolignans, epipodophyllotoxins
| Molecular Formula | C22H22O8 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13147 |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 158933-35-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O |
| InChIKey | YJGVMLPVUAXIQN-BCVBHCCTSA-N |
Product Overview
Lignans (CAS 158933-35-8), with molecular formula C22H22O8 and molecular weight 414.13 g/mol. IUPAC: (5R,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of Lignans
Property Insights of Lignans
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lignans. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Lignans. Following Lipinski's Rule of Five, Lignans has 1 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 Lignans?
The CAS number of Lignans is 158933-35-8.
What is the molecular formula of Lignans?
The molecular formula of Lignans is C22H22O8.
What is the molecular weight of Lignans?
The molecular weight of Lignans is 414.13 g/mol.
Where can I buy Lignans?
You can request a quote for Lignans directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lignans?
Yes, KEHONG BIO provides custom synthesis services for Lignans and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.