6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin
TL;DR: 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin (CAS 128201-92-3) is a chemical compound with molecular formula C44H44O16 and molecular weight 828.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-15-methyl-10,17-dioxo-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaen-8-yl] 3-ethoxypropanoate
Also Known As: Ist 622, 6-O-(3-Ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin, (S)-10-((6-Deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-(phenylmethylene)-beta-D-galactopyranosyl)oxy)-5,12-dihydro-1-methyl-5,12-dioxobenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-6-yl 3-ethoxypropanoate, [4-[[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-15-methyl-10,17-dioxo-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaen-8-yl] 3-ethoxypropanoate, 9-{[3,4-O-Benzylidene-6-deoxy-2-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy}-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-6-yl 3-ethoxypropanoate
| Molecular Formula | C44H44O16 |
|---|---|
| Molecular Weight | 828.26 g/mol |
| LogP | 4.75722 |
| Topological Polar Surface Area | 201.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 828.26294 |
| Heavy Atoms | 60 |
| Complexity | 2657.538 |
Chemical Identifiers
| CAS Number | 128201-92-3 |
|---|---|
| SMILES | CCOCCC(=O)OC1=C2C3=C(C4=C1C=CC(=C4)OC5C(C6C(C(O5)C)OC(O6)C7=CC=CC=C7)OC8C(C(C(C(O8)C)O)OC)O)OC(=O)C9=C(C=CC(=C93)OC2=O)C |
Product Overview
6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin (CAS 128201-92-3), with molecular formula C44H44O16 and molecular weight 828.26 g/mol. IUPAC: [4-[[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-15-methyl-10,17-dioxo-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaen-8-yl] 3-ethoxypropanoate.
Chemical Property Profile of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin
Property Insights of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin
The XLogP value of 4.75722 indicates that 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.02 Ų indicates high polarity, suggesting 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin?
The CAS number of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin is 128201-92-3.
What is the molecular formula of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin?
The molecular formula of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin is C44H44O16.
What is the molecular weight of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin?
The molecular weight of 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin is 828.26 g/mol.
Where can I buy 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin?
You can request a quote for 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-(3-ethoxypropionyl)-3',4'-O-exo-benzylidenechartreusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.