![1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone structure](/static/products/450/450411-91-3.png)
1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone
TL;DR: 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone (CAS 450411-91-3) is a chemical compound with molecular formula C24H26FNO3 and molecular weight 395.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-acetyl-2-(2-fluorophenyl)-6-hydroxy-6-methyl-4-(4-methylanilino)cyclohex-3-en-1-yl]ethanone
Also Known As: 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone, 1-[3-acetyl-2-(2-fluorophenyl)-6-hydroxy-6-methyl-4-(4-methylanilino)cyclohex-3-en-1-yl]ethanone, 1-{(4E,5E)-6-(2-fluorophenyl)-2-hydroxy-5-(1-hydroxyethylidene)-2-methyl-4-[(4-methylphenyl)imino]cyclohexyl}ethanone
| Molecular Formula | C24H26FNO3 |
|---|---|
| Molecular Weight | 395.19 g/mol |
| LogP | 4.53282 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.18967 |
| Heavy Atoms | 29 |
| Complexity | 975.87524 |
Chemical Identifiers
| CAS Number | 450411-91-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(C(C(C2)(C)O)C(=O)C)C3=CC=CC=C3F)C(=O)C |
Product Overview
1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone (CAS 450411-91-3), with molecular formula C24H26FNO3 and molecular weight 395.19 g/mol. IUPAC: 1-[3-acetyl-2-(2-fluorophenyl)-6-hydroxy-6-methyl-4-(4-methylanilino)cyclohex-3-en-1-yl]ethanone.
Chemical Property Profile of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone
Property Insights of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone
The XLogP value of 4.53282 indicates that 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone. Following Lipinski's Rule of Five, 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone has 2 hydrogen bond donor(s) and 4 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 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
The CAS number of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is 450411-91-3.
What is the molecular formula of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
The molecular formula of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is C24H26FNO3.
What is the molecular weight of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
The molecular weight of 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is 395.19 g/mol.
Where can I buy 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
You can request a quote for 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2'-fluoro-3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.