(E)-4-(phenylamino)pent-3-en-2-one
TL;DR: (E)-4-(phenylamino)pent-3-en-2-one (CAS 88074-12-8) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilinopent-3-en-2-one
Also Known As: 4-Phenylamino-3-penten-2-one, 4-anilinopent-3-en-2-one, 4-(Phenylamino)pent-3-en-2-one, (E)-4-anilinopent-3-en-2-one, 2-Penten-2-ol, 4-(phenylimino)-
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 88074-12-8 |
|---|---|
| SMILES | CC(=CC(=O)C)NC1=CC=CC=C1 |
| InChIKey | JLTWHWBUKGOPLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-4-(phenylamino)pent-3-en-2-one (CAS 88074-12-8), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 4-anilinopent-3-en-2-one.
Chemical Property Profile of (E)-4-(phenylamino)pent-3-en-2-one
Property Insights of (E)-4-(phenylamino)pent-3-en-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(phenylamino)pent-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, (E)-4-(phenylamino)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(phenylamino)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 (E)-4-(phenylamino)pent-3-en-2-one?
The CAS number of (E)-4-(phenylamino)pent-3-en-2-one is 88074-12-8.
What is the molecular formula of (E)-4-(phenylamino)pent-3-en-2-one?
The molecular formula of (E)-4-(phenylamino)pent-3-en-2-one is C11H13NO.
What is the molecular weight of (E)-4-(phenylamino)pent-3-en-2-one?
The molecular weight of (E)-4-(phenylamino)pent-3-en-2-one is 175.10 g/mol.
Where can I buy (E)-4-(phenylamino)pent-3-en-2-one?
You can request a quote for (E)-4-(phenylamino)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 (E)-4-(phenylamino)pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(phenylamino)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.