TimTec1_004429
TL;DR: TimTec1_004429 (CAS 186337-13-3) is a chemical compound with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: TimTec1_004429, BAS 00589751, A1858/0078173, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 5-[2-(4-BROMOPHENYL)-2-OXOETHYL]-4,6-DIMETHYL-2-THIOXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
| Molecular Formula | C16H13BrN2OS |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 4.42061 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.9932 |
| Heavy Atoms | 21 |
| Complexity | 800.7523 |
Chemical Identifiers
| CAS Number | 186337-13-3 |
|---|---|
| SMILES | CC1=C(C(=S)NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)C#N |
Product Overview
TimTec1_004429 (CAS 186337-13-3), with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of TimTec1_004429
Property Insights of TimTec1_004429
The XLogP value of 4.42061 indicates that TimTec1_004429 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, TimTec1_004429 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_004429 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_004429?
The CAS number of TimTec1_004429 is 186337-13-3.
What is the molecular formula of TimTec1_004429?
The molecular formula of TimTec1_004429 is C16H13BrN2OS.
What is the molecular weight of TimTec1_004429?
The molecular weight of TimTec1_004429 is 359.99 g/mol.
Where can I buy TimTec1_004429?
You can request a quote for TimTec1_004429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004429?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.