Podophyllotoxin O-thenylidene-beta-D-glucopyranoside
TL;DR: Podophyllotoxin O-thenylidene-beta-D-glucopyranoside (CAS 35317-31-8) is a chemical compound with molecular formula C33H34O13S and molecular weight 670.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Podophyllotoxin-thenyliden-glucosid, Podophyllotoxin-thenyliden-glucosid [German], Podophyllotoxin O-thenylidene-beta-D-glucopyranoside, 4,6-O-Thenylidene-beta-D-glucopyranoside podophillotoxin, 9-Phenanthrenecarboxylicacid,3-chloro-6-(trifluoromethyl)
| Molecular Formula | C33H34O13S |
|---|---|
| Molecular Weight | 670.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 670.172 |
| Heavy Atoms | 47 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 35317-31-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O |
| InChIKey | KADRARWKSLBLAJ-UHFFFAOYSA-N |
Product Overview
Podophyllotoxin O-thenylidene-beta-D-glucopyranoside (CAS 35317-31-8), with molecular formula C33H34O13S and molecular weight 670.17 g/mol. IUPAC: 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside
Property Insights of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Podophyllotoxin O-thenylidene-beta-D-glucopyranoside. The TPSA of 178.0 Ų indicates high polarity, suggesting Podophyllotoxin O-thenylidene-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Podophyllotoxin O-thenylidene-beta-D-glucopyranoside has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside?
The CAS number of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside is 35317-31-8.
What is the molecular formula of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside?
The molecular formula of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside is C33H34O13S.
What is the molecular weight of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside?
The molecular weight of Podophyllotoxin O-thenylidene-beta-D-glucopyranoside is 670.17 g/mol.
Where can I buy Podophyllotoxin O-thenylidene-beta-D-glucopyranoside?
You can request a quote for Podophyllotoxin O-thenylidene-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podophyllotoxin O-thenylidene-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Podophyllotoxin O-thenylidene-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.