黄绵马酸
TL;DR: 黄绵马酸 (CAS 114-42-1) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄绵马酸
2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Flavaspidic acid, Toxifren, Polystichocitrin, Flavaspidic acid BB, Flavaspidsaeure
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 114-42-1 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O |
| InChIKey | NHVQLOCTXSMKIX-UHFFFAOYSA-N |
Product Overview
黄绵马酸 (CAS 114-42-1), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: 2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of 黄绵马酸
Property Insights of 黄绵马酸
The XLogP value of 3.8 indicates that 黄绵马酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 黄绵马酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 黄绵马酸 has 5 hydrogen bond donor(s) and 8 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 黄绵马酸?
The CAS number of 黄绵马酸 is 114-42-1.
What is the molecular formula of 黄绵马酸?
The molecular formula of 黄绵马酸 is C24H30O8.
What is the molecular weight of 黄绵马酸?
The molecular weight of 黄绵马酸 is 446.19 g/mol.
Where can I buy 黄绵马酸?
You can request a quote for 黄绵马酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄绵马酸?
Yes, KEHONG BIO provides custom synthesis services for 黄绵马酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.