Agonodepside B
TL;DR: Agonodepside B (CAS 445298-41-9) is a chemical compound with molecular formula C24H26O7 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid
Also Known As: Agonodepside B, J1.781.985B, 6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid, 2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]-benzoic acid, 4-carboxy-3-hydroxy-2-methyl-5-[(1E)-1-methyl-1-propen-1-yl]phenyl ester, benzoic acid, 4-[[2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propenyl]benzoyl]oxy]-2-hydroxy-3-methyl-6-[(1E)-1-methyl-1-propenyl]-
| Molecular Formula | C24H26O7 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.16785 |
| Heavy Atoms | 31 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 445298-41-9 |
|---|---|
| SMILES | C/C=C(\C)/C1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)/C(=C/C)/C)C(=O)O)O)C)O)C)O |
| InChIKey | LFTHRDXERPBJOF-MKICQXMISA-N |
Product Overview
Agonodepside B (CAS 445298-41-9), with molecular formula C24H26O7 and molecular weight 426.17 g/mol. IUPAC: 6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of Agonodepside B
Property Insights of Agonodepside B
The XLogP value of 6.9 indicates that Agonodepside B 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 Agonodepside B. Following Lipinski's Rule of Five, Agonodepside B has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agonodepside B?
The CAS number of Agonodepside B is 445298-41-9.
What is the molecular formula of Agonodepside B?
The molecular formula of Agonodepside B is C24H26O7.
What is the molecular weight of Agonodepside B?
The molecular weight of Agonodepside B is 426.17 g/mol.
Where can I buy Agonodepside B?
You can request a quote for Agonodepside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agonodepside B?
Yes, KEHONG BIO provides custom synthesis services for Agonodepside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.