TimTec1_004312
TL;DR: TimTec1_004312 (CAS 337493-99-9) is a chemical compound with molecular formula C20H19N3OS and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
Also Known As: TimTec1_004312, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone, A2158/0090673, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-((1-methyl-1H-imidazol-2-yl)thio)ethanone
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 337493-99-9 |
|---|---|
| SMILES | CN1C=CN=C1SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 |
| InChIKey | LVPOKEWQVAPHDD-UHFFFAOYSA-N |
Product Overview
TimTec1_004312 (CAS 337493-99-9), with molecular formula C20H19N3OS and molecular weight 349.12 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
Chemical Property Profile of TimTec1_004312
Property Insights of TimTec1_004312
The XLogP value of 3.8 indicates that TimTec1_004312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004312. Following Lipinski's Rule of Five, TimTec1_004312 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_004312?
The CAS number of TimTec1_004312 is 337493-99-9.
What is the molecular formula of TimTec1_004312?
The molecular formula of TimTec1_004312 is C20H19N3OS.
What is the molecular weight of TimTec1_004312?
The molecular weight of TimTec1_004312 is 349.12 g/mol.
Where can I buy TimTec1_004312?
You can request a quote for TimTec1_004312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004312?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.