![2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- structure](/static/products/3700/37003-81-9.webp)
2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-
TL;DR: 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- (CAS 37003-81-9) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylanilino)-1-phenylbut-2-en-1-one
Also Known As: 3-(4-methylanilino)-1-phenylbut-2-en-1-one, 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-, (Z)-1-phenyl-3-(4-toluidino)-2-buten-1-one
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 4.19362 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 582.41895 |
Chemical Identifiers
| CAS Number | 37003-81-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=CC(=O)C2=CC=CC=C2)C |
Product Overview
2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- (CAS 37003-81-9), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 3-(4-methylanilino)-1-phenylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-
Property Insights of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-
The XLogP value of 4.19362 indicates that 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- has 1 hydrogen bond donor(s) and 2 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 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-?
The CAS number of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- is 37003-81-9.
What is the molecular formula of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-?
The molecular formula of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- is C17H17NO.
What is the molecular weight of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-?
The molecular weight of 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- is 251.13 g/mol.
Where can I buy 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-?
You can request a quote for 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 3-[(4-methylphenyl)amino]-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.