4-(4-Tolylamino)pent-3-en-2-one
TL;DR: 4-(4-Tolylamino)pent-3-en-2-one (CAS 88074-13-9) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylanilino)pent-3-en-2-one
Also Known As: 4-(4-tolylamino)pent-3-en-2-one, 4-(4-methylanilino)pent-3-en-2-one, 2-Penten-2-ol, 4-[(4-methylphenyl)imino]-, 3-Penten-2-one, 4-[(4-methylphenyl)amino]-, 3-Penten-2-one, 4-[(4-methylphenyl)amino]-, (Z)-
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.89972 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 349.08942 |
Chemical Identifiers
| CAS Number | 88074-13-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=CC(=O)C)C |
Product Overview
4-(4-Tolylamino)pent-3-en-2-one (CAS 88074-13-9), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4-(4-methylanilino)pent-3-en-2-one.
Chemical Property Profile of 4-(4-Tolylamino)pent-3-en-2-one
Property Insights of 4-(4-Tolylamino)pent-3-en-2-one
The XLogP value of 2.89972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Tolylamino)pent-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 4-(4-Tolylamino)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Tolylamino)pent-3-en-2-one 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 4-(4-Tolylamino)pent-3-en-2-one?
The CAS number of 4-(4-Tolylamino)pent-3-en-2-one is 88074-13-9.
What is the molecular formula of 4-(4-Tolylamino)pent-3-en-2-one?
The molecular formula of 4-(4-Tolylamino)pent-3-en-2-one is C12H15NO.
What is the molecular weight of 4-(4-Tolylamino)pent-3-en-2-one?
The molecular weight of 4-(4-Tolylamino)pent-3-en-2-one is 189.12 g/mol.
Where can I buy 4-(4-Tolylamino)pent-3-en-2-one?
You can request a quote for 4-(4-Tolylamino)pent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Tolylamino)pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Tolylamino)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.