TimTec1_004672
TL;DR: TimTec1_004672 (CAS 374545-01-4) is a chemical compound with molecular formula C23H17ClN4O2S2 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(furan-2-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: TimTec1_004672, BAS 02101865, A2604/0110652, 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)thio]methyl}-4-{[(2-furylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 2-(benzo[d]thiazol-2-yl)-5-((4-chlorophenylthio)methyl)-4-((furan-2-ylmethylimino)methyl)-1H-pyrazol-3(2H)-one
| Molecular Formula | C23H17ClN4O2S2 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 5.9331 |
| Topological Polar Surface Area | 76.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.04816 |
| Heavy Atoms | 32 |
| Complexity | 1400.2334 |
Chemical Identifiers
| CAS Number | 374545-01-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)CSC4=CC=C(C=C4)Cl)C=NCC5=CC=CO5 |
Product Overview
TimTec1_004672 (CAS 374545-01-4), with molecular formula C23H17ClN4O2S2 and molecular weight 480.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(furan-2-ylmethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of TimTec1_004672
Property Insights of TimTec1_004672
The XLogP value of 5.9331 indicates that TimTec1_004672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.18 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004672. Following Lipinski's Rule of Five, TimTec1_004672 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_004672?
The CAS number of TimTec1_004672 is 374545-01-4.
What is the molecular formula of TimTec1_004672?
The molecular formula of TimTec1_004672 is C23H17ClN4O2S2.
What is the molecular weight of TimTec1_004672?
The molecular weight of TimTec1_004672 is 480.05 g/mol.
Where can I buy TimTec1_004672?
You can request a quote for TimTec1_004672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004672?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.