4'-Isoamyl-demethylpodophyllotoxin-glucosid
TL;DR: 4'-Isoamyl-demethylpodophyllotoxin-glucosid (CAS 73839-74-4) is a chemical compound with molecular formula C32H40O13 and molecular weight 632.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR,9R)-9-[3,5-dimethoxy-4-(3-methylbutoxy)phenyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: 4'-Isoamyl-demethylpodophyllotoxin-glucosid, 4'-Isoamyl-demethylpodophyllotoxin-glucosid [German], 4 -Isoamyl-demethylpodophyllotoxin-glucoside, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-(beta-D-glucopyranosyloxy)-5-(3,5-dimethoxy-4-(3-methylbutoxy)phenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-, (10R,11R,15R,16R)-10-[3,5-dimethoxy-4-(3-methylbutoxy)phenyl]-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
| Molecular Formula | C32H40O13 |
|---|---|
| Molecular Weight | 632.25 g/mol |
| LogP | 1.6497 |
| Topological Polar Surface Area | 171.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 632.2469 |
| Heavy Atoms | 45 |
| Complexity | 1368.3563 |
Chemical Identifiers
| CAS Number | 73839-74-4 |
|---|---|
| SMILES | CC(C)CCOC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC |
Product Overview
4'-Isoamyl-demethylpodophyllotoxin-glucosid (CAS 73839-74-4), with molecular formula C32H40O13 and molecular weight 632.25 g/mol. IUPAC: (5R,5aR,8aR,9R)-9-[3,5-dimethoxy-4-(3-methylbutoxy)phenyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 4'-Isoamyl-demethylpodophyllotoxin-glucosid
Property Insights of 4'-Isoamyl-demethylpodophyllotoxin-glucosid
The XLogP value of 1.6497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Isoamyl-demethylpodophyllotoxin-glucosid. The TPSA of 171.83 Ų indicates high polarity, suggesting 4'-Isoamyl-demethylpodophyllotoxin-glucosid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Isoamyl-demethylpodophyllotoxin-glucosid has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Isoamyl-demethylpodophyllotoxin-glucosid?
The CAS number of 4'-Isoamyl-demethylpodophyllotoxin-glucosid is 73839-74-4.
What is the molecular formula of 4'-Isoamyl-demethylpodophyllotoxin-glucosid?
The molecular formula of 4'-Isoamyl-demethylpodophyllotoxin-glucosid is C32H40O13.
What is the molecular weight of 4'-Isoamyl-demethylpodophyllotoxin-glucosid?
The molecular weight of 4'-Isoamyl-demethylpodophyllotoxin-glucosid is 632.25 g/mol.
Where can I buy 4'-Isoamyl-demethylpodophyllotoxin-glucosid?
You can request a quote for 4'-Isoamyl-demethylpodophyllotoxin-glucosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Isoamyl-demethylpodophyllotoxin-glucosid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Isoamyl-demethylpodophyllotoxin-glucosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.