![1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone structure](/static/products/100/1008065-27-7.png)
1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone
TL;DR: 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone (CAS 1008065-27-7) is a chemical compound with molecular formula C24H26N2O5 and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-nitrophenyl)cyclohex-3-en-1-yl]ethanone
Also Known As: 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone, 1,1'-{6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)cyclohex-3-ene-1,3-diyl}diethanone, 1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-nitrophenyl)cyclohex-3-en-1-yl]ethanone
| Molecular Formula | C24H26N2O5 |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 4.30192 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.18417 |
| Heavy Atoms | 31 |
| Complexity | 1069.6322 |
Chemical Identifiers
| CAS Number | 1008065-27-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(C(C(C2)(C)O)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C |
Product Overview
1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone (CAS 1008065-27-7), with molecular formula C24H26N2O5 and molecular weight 422.18 g/mol. IUPAC: 1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-nitrophenyl)cyclohex-3-en-1-yl]ethanone.
Chemical Property Profile of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone
Property Insights of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone
The XLogP value of 4.30192 indicates that 1,1'-(3-hydroxy-3-methyl-3'-nitro-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 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone. Following Lipinski's Rule of Five, 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone has 2 hydrogen bond donor(s) and 6 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'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
The CAS number of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is 1008065-27-7.
What is the molecular formula of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
The molecular formula of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is C24H26N2O5.
What is the molecular weight of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
The molecular weight of 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone is 422.18 g/mol.
Where can I buy 1,1'-(3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone?
You can request a quote for 1,1'-(3-hydroxy-3-methyl-3'-nitro-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'-(3-hydroxy-3-methyl-3'-nitro-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'-(3-hydroxy-3-methyl-3'-nitro-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.