Propan-2-one--N-phenylaniline (1/1)
TL;DR: Propan-2-one--N-phenylaniline (1/1) (CAS 9003-79-6) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylaniline;propan-2-one
Also Known As: diphenylamine acetone, ACETONE DIPHENYLAMINE, N-phenylaniline;propan-2-one, acetone;N-phenylaniline, acetone; N-phenylaniline
| Molecular Formula | C15H17NO |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 4.0255 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.13101 |
| Heavy Atoms | 17 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 9003-79-6 |
|---|---|
| SMILES | CC(=O)C.C1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | GZNRISJLOXVOSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-one--N-phenylaniline (1/1) (CAS 9003-79-6), with molecular formula C15H17NO and molecular weight 227.13 g/mol. IUPAC: N-phenylaniline;propan-2-one.
Chemical Property Profile of Propan-2-one--N-phenylaniline (1/1)
Property Insights of Propan-2-one--N-phenylaniline (1/1)
The XLogP value of 4.0255 indicates that Propan-2-one--N-phenylaniline (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Propan-2-one--N-phenylaniline (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-one--N-phenylaniline (1/1) 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 Propan-2-one--N-phenylaniline (1/1)?
The CAS number of Propan-2-one--N-phenylaniline (1/1) is 9003-79-6.
What is the molecular formula of Propan-2-one--N-phenylaniline (1/1)?
The molecular formula of Propan-2-one--N-phenylaniline (1/1) is C15H17NO.
What is the molecular weight of Propan-2-one--N-phenylaniline (1/1)?
The molecular weight of Propan-2-one--N-phenylaniline (1/1) is 227.13 g/mol.
Where can I buy Propan-2-one--N-phenylaniline (1/1)?
You can request a quote for Propan-2-one--N-phenylaniline (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-one--N-phenylaniline (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-one--N-phenylaniline (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.