3''-Demethylchartreusin
TL;DR: 3''-Demethylchartreusin (CAS 128229-64-1) is a chemical compound with molecular formula C31H30O14 and molecular weight 626.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
Also Known As: 3''-Demethylchartreusin, Demethylchartreusin, 3/'/'-Demethylchartreusin, 3 -Demethylchartreusin, 10-((6-Deoxy-2-O-(6-deoxy-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methylbenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione
| Molecular Formula | C31H30O14 |
|---|---|
| Molecular Weight | 626.16 g/mol |
| LogP | 0.71572 |
| Topological Polar Surface Area | 218.72 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 626.1636 |
| Heavy Atoms | 45 |
| Complexity | 2050.641 |
Chemical Identifiers
| CAS Number | 128229-64-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)C)O)O)O)O)O |
Product Overview
3''-Demethylchartreusin (CAS 128229-64-1), with molecular formula C31H30O14 and molecular weight 626.16 g/mol. IUPAC: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione.
Chemical Property Profile of 3''-Demethylchartreusin
Property Insights of 3''-Demethylchartreusin
The XLogP value of 0.71572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3''-Demethylchartreusin. The TPSA of 218.72 Ų indicates high polarity, suggesting 3''-Demethylchartreusin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3''-Demethylchartreusin has 6 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 3''-Demethylchartreusin?
The CAS number of 3''-Demethylchartreusin is 128229-64-1.
What is the molecular formula of 3''-Demethylchartreusin?
The molecular formula of 3''-Demethylchartreusin is C31H30O14.
What is the molecular weight of 3''-Demethylchartreusin?
The molecular weight of 3''-Demethylchartreusin is 626.16 g/mol.
Where can I buy 3''-Demethylchartreusin?
You can request a quote for 3''-Demethylchartreusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3''-Demethylchartreusin?
Yes, KEHONG BIO provides custom synthesis services for 3''-Demethylchartreusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.