三黄鳞毛蕨酸
TL;DR: 三黄鳞毛蕨酸 (CAS 36253-23-3) is a chemical compound with molecular formula C35H42O12 and molecular weight 654.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三黄鳞毛蕨酸
2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Trisflavaspidic acid, trisflaspidic acid-BBBB, 2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one, 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4- dimethyl-2-(1-oxobutyl)-6-((2,4,6-trihydroxy-3-(1-oxobutyl)-5-((2,4,6- trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)phenyl)methyl)-, 2-Butanoyl-4-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
| Molecular Formula | C35H42O12 |
|---|---|
| Molecular Weight | 654.27 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 654.26764 |
| Heavy Atoms | 47 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 36253-23-3 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)CC3=C(C(C(=O)C(=C3O)C(=O)CCC)(C)C)O)O)O)C)O |
| InChIKey | YAWQELJXNKRLJI-UHFFFAOYSA-N |
Product Overview
三黄鳞毛蕨酸 (CAS 36253-23-3), with molecular formula C35H42O12 and molecular weight 654.27 g/mol. IUPAC: 2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of 三黄鳞毛蕨酸
Property Insights of 三黄鳞毛蕨酸
The XLogP value of 5.7 indicates that 三黄鳞毛蕨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting 三黄鳞毛蕨酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三黄鳞毛蕨酸 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三黄鳞毛蕨酸?
The CAS number of 三黄鳞毛蕨酸 is 36253-23-3.
What is the molecular formula of 三黄鳞毛蕨酸?
The molecular formula of 三黄鳞毛蕨酸 is C35H42O12.
What is the molecular weight of 三黄鳞毛蕨酸?
The molecular weight of 三黄鳞毛蕨酸 is 654.27 g/mol.
Where can I buy 三黄鳞毛蕨酸?
You can request a quote for 三黄鳞毛蕨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三黄鳞毛蕨酸?
Yes, KEHONG BIO provides custom synthesis services for 三黄鳞毛蕨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.