山豆根芪酸
TL;DR: 山豆根芪酸 (CAS 87402-84-4) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山豆根芪酸
2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-[(E)-2-phenylethenyl]benzoic acid
Also Known As: Cajanine, cajaninstilbene acid, EX-A6194, 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid, 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-[(E)-2-phenylethenyl]benzoic Acid
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.7781 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 813.53485 |
Chemical Identifiers
| CAS Number | 87402-84-4 |
|---|---|
| SMILES | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)/C=C/C2=CC=CC=C2)OC)C |
Product Overview
山豆根芪酸 (CAS 87402-84-4), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-[(E)-2-phenylethenyl]benzoic acid.
Chemical Property Profile of 山豆根芪酸
Property Insights of 山豆根芪酸
The XLogP value of 4.7781 indicates that 山豆根芪酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 山豆根芪酸. Following Lipinski's Rule of Five, 山豆根芪酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 山豆根芪酸?
The CAS number of 山豆根芪酸 is 87402-84-4.
What is the molecular formula of 山豆根芪酸?
The molecular formula of 山豆根芪酸 is C21H22O4.
What is the molecular weight of 山豆根芪酸?
The molecular weight of 山豆根芪酸 is 338.15 g/mol.
Where can I buy 山豆根芪酸?
You can request a quote for 山豆根芪酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山豆根芪酸?
Yes, KEHONG BIO provides custom synthesis services for 山豆根芪酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.