3',4'-O-Benzylidene-chartreusin
TL;DR: 3',4'-O-Benzylidene-chartreusin (CAS 1016961-53-7) is a chemical compound with molecular formula C39H36O14 and molecular weight 728.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2R,3aS,4R,7R,7aS)-7-[(3R,4S,5S,6R)-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]-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: 3,4-Obct, 3',4'-O-Benzylidenechartreusin, A132 cpd, 3',4'-O-Benzylidene-chartreusin, [(5S)-6-Oxo-1,7-diazaspiro[4.4]non-7-yl]acetic acid
| Molecular Formula | C39H36O14 |
|---|---|
| Molecular Weight | 728.21 g/mol |
| LogP | 4.13082 |
| Topological Polar Surface Area | 185.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 728.2105 |
| Heavy Atoms | 53 |
| Complexity | 2459.4194 |
Chemical Identifiers
| CAS Number | 1016961-53-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@@H]3[C@H]([C@H](OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)O[C@H](O3)C9=CC=CC=C9)O)OC)O |
Product Overview
3',4'-O-Benzylidene-chartreusin (CAS 1016961-53-7), with molecular formula C39H36O14 and molecular weight 728.21 g/mol. IUPAC: 3-[[(2R,3aS,4R,7R,7aS)-7-[(3R,4S,5S,6R)-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]-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',4'-O-Benzylidene-chartreusin
Property Insights of 3',4'-O-Benzylidene-chartreusin
The XLogP value of 4.13082 indicates that 3',4'-O-Benzylidene-chartreusin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.72 Ų indicates high polarity, suggesting 3',4'-O-Benzylidene-chartreusin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3',4'-O-Benzylidene-chartreusin has 3 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',4'-O-Benzylidene-chartreusin?
The CAS number of 3',4'-O-Benzylidene-chartreusin is 1016961-53-7.
What is the molecular formula of 3',4'-O-Benzylidene-chartreusin?
The molecular formula of 3',4'-O-Benzylidene-chartreusin is C39H36O14.
What is the molecular weight of 3',4'-O-Benzylidene-chartreusin?
The molecular weight of 3',4'-O-Benzylidene-chartreusin is 728.21 g/mol.
Where can I buy 3',4'-O-Benzylidene-chartreusin?
You can request a quote for 3',4'-O-Benzylidene-chartreusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-O-Benzylidene-chartreusin?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-O-Benzylidene-chartreusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.