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 728.2105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C39H36O14 |
| Molecular Weight | 728.2105 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 728.2105 Da |
| Heavy Atoms | 53 |
| Complexity | 1360.0 |
| 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 |
| InChIKey | XVSHGAAPBNVZEJ-YCURTJOOSA-N |
Product Description
Applications: 3',4'-O-Benzylidene-chartreusin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3',4'-O-Benzylidene-chartreusin (CAS 1016961-53-7) is a fine chemical with the molecular formula C39H36O14 and a molecular weight of 728.21 g/mol. Synonyms include 3,4-Obct and 3',4'-O-Benzylidenechartreusin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3',4'-O-Benzylidene-chartreusin
Property Insights of 3',4'-O-Benzylidene-chartreusin
The XLogP value of 4.6 indicates that 3',4'-O-Benzylidene-chartreusin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 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
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 728.2105 g/mol.
What are the applications of 3',4'-O-Benzylidene-chartreusin?
3',4'-O-Benzylidene-chartreusin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS,...
Where can I buy 3',4'-O-Benzylidene-chartreusin?
You can request a quote for 3',4'-O-Benzylidene-chartreusin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3',4'-O-Benzylidene-chartreusin?
Yes, CoreyChem provides custom synthesis services for 3',4'-O-Benzylidene-chartreusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.