谷特黄酮A
TL;DR: 谷特黄酮A (CAS 147687-34-1) is a chemical compound with molecular formula C38H50O6 and molecular weight 602.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
谷特黄酮A
3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
Also Known As: Guttiferone A, 3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione, 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
| Molecular Formula | C38H50O6 |
|---|---|
| Molecular Weight | 602.36 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 602.3607 |
| Heavy Atoms | 44 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 147687-34-1 |
|---|---|
| SMILES | CC(=CCCC1(C(CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C |
| InChIKey | SHBMQWRFQJLYJU-UHFFFAOYSA-N |
Product Overview
谷特黄酮A (CAS 147687-34-1), with molecular formula C38H50O6 and molecular weight 602.36 g/mol. IUPAC: 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione.
Chemical Property Profile of 谷特黄酮A
Property Insights of 谷特黄酮A
The XLogP value of 10.4 indicates that 谷特黄酮A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 谷特黄酮A. Following Lipinski's Rule of Five, 谷特黄酮A has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 谷特黄酮A?
The CAS number of 谷特黄酮A is 147687-34-1.
What is the molecular formula of 谷特黄酮A?
The molecular formula of 谷特黄酮A is C38H50O6.
What is the molecular weight of 谷特黄酮A?
The molecular weight of 谷特黄酮A is 602.36 g/mol.
Where can I buy 谷特黄酮A?
You can request a quote for 谷特黄酮A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 谷特黄酮A?
Yes, KEHONG BIO provides custom synthesis services for 谷特黄酮A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.