TimTec1_001010
TL;DR: TimTec1_001010 (CAS 5712-36-7) is a chemical compound with molecular formula C21H24N2O and molecular weight 320.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: TimTec1_001010, BAS 00633830, 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, AB00094395-01, BRD-A81824763-001-01-7
| Molecular Formula | C21H24N2O |
|---|---|
| Molecular Weight | 320.19 g/mol |
| LogP | 4.37658 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.18887 |
| Heavy Atoms | 24 |
| Complexity | 788.1228 |
Chemical Identifiers
| CAS Number | 5712-36-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)C)C#N |
Product Overview
TimTec1_001010 (CAS 5712-36-7), with molecular formula C21H24N2O and molecular weight 320.19 g/mol. IUPAC: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of TimTec1_001010
Property Insights of TimTec1_001010
The XLogP value of 4.37658 indicates that TimTec1_001010 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, TimTec1_001010 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_001010 has 1 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_001010?
The CAS number of TimTec1_001010 is 5712-36-7.
What is the molecular formula of TimTec1_001010?
The molecular formula of TimTec1_001010 is C21H24N2O.
What is the molecular weight of TimTec1_001010?
The molecular weight of TimTec1_001010 is 320.19 g/mol.
Where can I buy TimTec1_001010?
You can request a quote for TimTec1_001010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001010?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.