![4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate structure](/static/products/3031/303133-88-2.webp)
4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate
TL;DR: 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate (CAS 303133-88-2) is a chemical compound with molecular formula C16H18F5NO3 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5,5-pentafluoropentyl 4-(2-methylanilino)-4-oxobutanoate
Also Known As: 4,4,5,5,5-pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate, 4,4,5,5,5-pentafluoropentyl 4-oxo-4-(o-tolylamino)butanoate, 4,4,5,5,5-pentafluoropentyl 4-(2-methylanilino)-4-oxobutanoate, 4,4,5,5,5-pentafluoropentyl 3-[N-(2-methylphenyl)carbamoyl]propanoate, 4,4,5,5,5-PENTAFLUOROPENTYL 3-[(2-METHYLPHENYL)CARBAMOYL]PROPANOATE
| Molecular Formula | C16H18F5NO3 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.1207 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 303133-88-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F |
| InChIKey | GSCURBIVKHPKKQ-UHFFFAOYSA-N |
Product Overview
4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate (CAS 303133-88-2), with molecular formula C16H18F5NO3 and molecular weight 367.12 g/mol. IUPAC: 4,4,5,5,5-pentafluoropentyl 4-(2-methylanilino)-4-oxobutanoate.
Chemical Property Profile of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate
Property Insights of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate
The XLogP value of 3.7 indicates that 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate has 1 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 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate?
The CAS number of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate is 303133-88-2.
What is the molecular formula of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate?
The molecular formula of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate is C16H18F5NO3.
What is the molecular weight of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate?
The molecular weight of 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate is 367.12 g/mol.
Where can I buy 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate?
You can request a quote for 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,5,5-Pentafluoropentyl 4-[(2-methylphenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.