TimTec1_001523
TL;DR: TimTec1_001523 (CAS 302950-92-1) is a chemical compound with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: TimTec1_001523, 4-[(E)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-{[(2E,5E)-2-[(5-ETHYL-1,3,4-THIADIAZOL-2-YL)IMINO]-4-OXO-3-(PROP-2-EN-1-YL)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOIC ACID
| Molecular Formula | C18H16N4O3S2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 3.5887 |
| Topological Polar Surface Area | 95.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.06638 |
| Heavy Atoms | 27 |
| Complexity | 947.7713 |
Chemical Identifiers
| CAS Number | 302950-92-1 |
|---|---|
| SMILES | CCC1=NN=C(S1)N=C2N(C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/S2)CC=C |
Product Overview
TimTec1_001523 (CAS 302950-92-1), with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol. IUPAC: 4-[(E)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of TimTec1_001523
Property Insights of TimTec1_001523
The XLogP value of 3.5887 indicates that TimTec1_001523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.75 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001523. Following Lipinski's Rule of Five, TimTec1_001523 has 1 hydrogen bond donor(s) and 7 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_001523?
The CAS number of TimTec1_001523 is 302950-92-1.
What is the molecular formula of TimTec1_001523?
The molecular formula of TimTec1_001523 is C18H16N4O3S2.
What is the molecular weight of TimTec1_001523?
The molecular weight of TimTec1_001523 is 400.07 g/mol.
Where can I buy TimTec1_001523?
You can request a quote for TimTec1_001523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001523?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.