3-O-Coumaroylasiatic acid
TL;DR: 3-O-Coumaroylasiatic acid (CAS 143773-52-8) is a chemical compound with molecular formula C39H54O7 and molecular weight 634.38696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: 3-O-Coumaroylasiatic acid, 3-O-Coumaroylasiaticacid, (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, [2alpha,3beta(E),4alpha]-2,23-Dihydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-urs-12-en-28-oic acid, 2alpha,23-Dihydroxy-3beta-[[3-(4-hydroxyphenyl)propenoyl]oxy]urs-12-en-28-oic acid
Technical Specifications
| Molecular Formula | C39H54O7 |
| Molecular Weight | 634.38696 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 634.38696 Da |
| Heavy Atoms | 46 |
| Complexity | 1270.0 |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChIKey | WKVZBLIEJQJTCN-KJVBOBAHSA-N |
Chemical Property Profile of 3-O-Coumaroylasiatic acid
Property Insights of 3-O-Coumaroylasiatic acid
The XLogP value of 7.5 indicates that 3-O-Coumaroylasiatic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Coumaroylasiatic acid. Following Lipinski's Rule of Five, 3-O-Coumaroylasiatic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-O-Coumaroylasiatic acid?
The CAS number of 3-O-Coumaroylasiatic acid is 143773-52-8.
What is the molecular formula of 3-O-Coumaroylasiatic acid?
The molecular formula of 3-O-Coumaroylasiatic acid is C39H54O7.
What is the molecular weight of 3-O-Coumaroylasiatic acid?
The molecular weight of 3-O-Coumaroylasiatic acid is 634.38696 g/mol.
Where can I buy 3-O-Coumaroylasiatic acid?
You can request a quote for 3-O-Coumaroylasiatic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-O-Coumaroylasiatic acid?
Yes, CoreyChem provides custom synthesis services for 3-O-Coumaroylasiatic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.