5'-Demethoxydeoxypodophyllotoxin
TL;DR: 5'-Demethoxydeoxypodophyllotoxin (CAS 63700-40-3) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR)-5-(3,4-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Morelensin, 5'-Demethoxydeoxypodophyllotoxin, (-)-Morelensin, 5 -Demethoxydeoxypodophyllotoxin, BURSERA MICROPHYLLA B613802K088
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 63700-40-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O)OC |
| InChIKey | MKWAWTRNIPHOLB-SVIJTADQSA-N |
Product Overview
5'-Demethoxydeoxypodophyllotoxin (CAS 63700-40-3), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: (5R,5aR,8aR)-5-(3,4-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
Chemical Property Profile of 5'-Demethoxydeoxypodophyllotoxin
Property Insights of 5'-Demethoxydeoxypodophyllotoxin
The XLogP value of 3.2 indicates that 5'-Demethoxydeoxypodophyllotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Demethoxydeoxypodophyllotoxin. Following Lipinski's Rule of Five, 5'-Demethoxydeoxypodophyllotoxin has 0 hydrogen bond donor(s) and 6 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 5'-Demethoxydeoxypodophyllotoxin?
The CAS number of 5'-Demethoxydeoxypodophyllotoxin is 63700-40-3.
What is the molecular formula of 5'-Demethoxydeoxypodophyllotoxin?
The molecular formula of 5'-Demethoxydeoxypodophyllotoxin is C21H20O6.
What is the molecular weight of 5'-Demethoxydeoxypodophyllotoxin?
The molecular weight of 5'-Demethoxydeoxypodophyllotoxin is 368.13 g/mol.
Where can I buy 5'-Demethoxydeoxypodophyllotoxin?
You can request a quote for 5'-Demethoxydeoxypodophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Demethoxydeoxypodophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for 5'-Demethoxydeoxypodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.