TimTec1_003593
TL;DR: TimTec1_003593 (CAS 296246-49-6) is a chemical compound with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: TimTec1_003593, BRD-K59593125-001-01-7, A2251/0094812, benzonitrile, 3-chloro-4-[[[5-(3-methoxyphenyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, 3-chloro-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
| Molecular Formula | C20H17ClN4OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 4.95708 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.08115 |
| Heavy Atoms | 27 |
| Complexity | 1009.4566 |
Chemical Identifiers
| CAS Number | 296246-49-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)C#N)Cl |
Product Overview
TimTec1_003593 (CAS 296246-49-6), with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol. IUPAC: 3-chloro-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of TimTec1_003593
Property Insights of TimTec1_003593
The XLogP value of 4.95708 indicates that TimTec1_003593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003593. Following Lipinski's Rule of Five, TimTec1_003593 has 0 hydrogen bond donor(s) and 5 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_003593?
The CAS number of TimTec1_003593 is 296246-49-6.
What is the molecular formula of TimTec1_003593?
The molecular formula of TimTec1_003593 is C20H17ClN4OS.
What is the molecular weight of TimTec1_003593?
The molecular weight of TimTec1_003593 is 396.08 g/mol.
Where can I buy TimTec1_003593?
You can request a quote for TimTec1_003593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003593?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.