TimTec1_002937
TL;DR: TimTec1_002937 (CAS 488733-54-6) is a chemical compound with molecular formula C14H11N5OS and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(furan-2-yl)prop-2-enylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: TimTec1_002937, 4-[[3-(2-Furanyl)-2-propen-1-ylidene]amino]-2,4-dihydro-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione, 4-[3-(furan-2-yl)prop-2-enylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-{[3-(Furan-2-yl)prop-2-en-1-ylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H11N5OS |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.14299 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06842 |
| Heavy Atoms | 21 |
| Complexity | 814.6838 |
Chemical Identifiers
| CAS Number | 488733-54-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=S)N2N=CC=CC3=CC=CO3 |
Product Overview
TimTec1_002937 (CAS 488733-54-6), with molecular formula C14H11N5OS and molecular weight 297.07 g/mol. IUPAC: 4-[3-(furan-2-yl)prop-2-enylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of TimTec1_002937
Property Insights of TimTec1_002937
The XLogP value of 3.14299 indicates that TimTec1_002937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002937. Following Lipinski's Rule of Five, TimTec1_002937 has 1 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_002937?
The CAS number of TimTec1_002937 is 488733-54-6.
What is the molecular formula of TimTec1_002937?
The molecular formula of TimTec1_002937 is C14H11N5OS.
What is the molecular weight of TimTec1_002937?
The molecular weight of TimTec1_002937 is 297.07 g/mol.
Where can I buy TimTec1_002937?
You can request a quote for TimTec1_002937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002937?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.