2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid
TL;DR: 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid (CAS 1026755-16-7) is a chemical compound with molecular formula C23H27NO3 and molecular weight 365.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid
Also Known As: TimTec1_005115, 2-(benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid, 2-(benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoicacid
Technical Specifications
| Molecular Formula | C23H27NO3 |
| Molecular Weight | 365.1991 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.1991 Da |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)O)NCC3=CC=CC=C3 |
| InChIKey | AVYPZOHVVIYNID-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid
Property Insights of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid 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
What is the CAS number of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid?
The CAS number of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid is 1026755-16-7.
What is the molecular formula of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid?
The molecular formula of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid is C23H27NO3.
What is the molecular weight of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid?
The molecular weight of 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid is 365.1991 g/mol.
Where can I buy 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid?
You can request a quote for 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylamino)-4-(4-cyclohexylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.