4-Phenylimino-2-pentanone
TL;DR: 4-Phenylimino-2-pentanone (CAS 880-12-6) 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-phenyliminopentan-2-one
Also Known As: 4-phenylimino-2-pentanone, 4-(phenylimino)-2-pentanone, 4-phenyliminopentan-2-one, 2-phenylimino-4-pentanone, 4-(Phenylimino)pentan-2-one
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 880-12-6 |
|---|---|
| SMILES | CC(=NC1=CC=CC=C1)CC(=O)C |
| InChIKey | JHTINWQRILLZLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenylimino-2-pentanone (CAS 880-12-6), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 4-phenyliminopentan-2-one.
Chemical Property Profile of 4-Phenylimino-2-pentanone
Property Insights of 4-Phenylimino-2-pentanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylimino-2-pentanone. With a topological polar surface area (TPSA) of 29.4 Ų, 4-Phenylimino-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylimino-2-pentanone has 0 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-Phenylimino-2-pentanone?
The CAS number of 4-Phenylimino-2-pentanone is 880-12-6.
What is the molecular formula of 4-Phenylimino-2-pentanone?
The molecular formula of 4-Phenylimino-2-pentanone is C11H13NO.
What is the molecular weight of 4-Phenylimino-2-pentanone?
The molecular weight of 4-Phenylimino-2-pentanone is 175.10 g/mol.
Where can I buy 4-Phenylimino-2-pentanone?
You can request a quote for 4-Phenylimino-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylimino-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylimino-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.