TimTec1_001560
TL;DR: TimTec1_001560 (CAS 65952-64-9) is a chemical compound with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Also Known As: TimTec1_001560, 2-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylonitrile, 2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
| Molecular Formula | C17H14ClNO2 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07132 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 65952-64-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)Cl)OC |
| InChIKey | JAPMLODSGOYOHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
TimTec1_001560 (CAS 65952-64-9), with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of TimTec1_001560
Property Insights of TimTec1_001560
The XLogP value of 4.3 indicates that TimTec1_001560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, TimTec1_001560 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_001560 has 0 hydrogen bond donor(s) and 3 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 TimTec1_001560?
The CAS number of TimTec1_001560 is 65952-64-9.
What is the molecular formula of TimTec1_001560?
The molecular formula of TimTec1_001560 is C17H14ClNO2.
What is the molecular weight of TimTec1_001560?
The molecular weight of TimTec1_001560 is 299.07 g/mol.
Where can I buy TimTec1_001560?
You can request a quote for TimTec1_001560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001560?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.