Contortin
TL;DR: Contortin (CAS 91925-83-6) is a chemical compound with molecular formula C22H26O8 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3-acetyl-2-hydroxy-4,6-dimethoxy-5-methylphenyl)-2-hydroxy-4,6-dimethoxy-5-methylphenyl]ethanone
Also Known As: Contortin, 1-[3-(3-acetyl-2-hydroxy-4,6-dimethoxy-5-methylphenyl)-2-hydroxy-4,6-dimethoxy-5-methylphenyl]ethanone, Ethanone, 1,1'-(2,2'-dihydroxy-4,4',6,6'-tetramethoxy-5,5'-dimethyl(1,1'-biphenyl)-3,3'-diyl)bis-, 1,1'-(2,2'-dihydroxy-4,4',6,6'-tetramethoxy-5,5'-dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(ethan-1-one), 1,1'-(2,2'-Dihydroxy-4,4',6,6'-tetramethoxy-5,5'-dimethyl[1,1'-biphenyl]-3,3'-diyl)di(ethan-1-one)
| Molecular Formula | C22H26O8 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.16278 |
| Heavy Atoms | 30 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 91925-83-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)C(=O)C)O)C2=C(C(=C(C(=C2OC)C)OC)C(=O)C)O)OC |
| InChIKey | PDJMCBVRNSWEOY-UHFFFAOYSA-N |
Product Overview
Contortin (CAS 91925-83-6), with molecular formula C22H26O8 and molecular weight 418.16 g/mol. IUPAC: 1-[3-(3-acetyl-2-hydroxy-4,6-dimethoxy-5-methylphenyl)-2-hydroxy-4,6-dimethoxy-5-methylphenyl]ethanone.
Chemical Property Profile of Contortin
Property Insights of Contortin
The XLogP value of 3.9 indicates that Contortin 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 Contortin. Following Lipinski's Rule of Five, Contortin has 2 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 Contortin?
The CAS number of Contortin is 91925-83-6.
What is the molecular formula of Contortin?
The molecular formula of Contortin is C22H26O8.
What is the molecular weight of Contortin?
The molecular weight of Contortin is 418.16 g/mol.
Where can I buy Contortin?
You can request a quote for Contortin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Contortin?
Yes, KEHONG BIO provides custom synthesis services for Contortin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.