ChemDiv1_007285
TL;DR: ChemDiv1_007285 (CAS 361198-07-4) is a chemical compound with molecular formula C24H18ClN5OS2 and molecular weight 491.06 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-(pyridin-2-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: ChemDiv1_007285, F0911-7665, (E)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-4-(((pyridin-2-ylmethyl)amino)methylene)-1H-pyrazol-5(4H)-one, (4E)-1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(pyridin-2-yl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(pyridin-2-ylmethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C24H18ClN5OS2 |
|---|---|
| Molecular Weight | 491.06 g/mol |
| LogP | 5.7351 |
| Topological Polar Surface Area | 75.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.06412 |
| Heavy Atoms | 33 |
| Complexity | 1439.5736 |
Chemical Identifiers
| CAS Number | 361198-07-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)CSC4=CC=C(C=C4)Cl)C=NCC5=CC=CC=N5 |
Product Overview
ChemDiv1_007285 (CAS 361198-07-4), with molecular formula C24H18ClN5OS2 and molecular weight 491.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(pyridin-2-ylmethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_007285
Property Insights of ChemDiv1_007285
The XLogP value of 5.7351 indicates that ChemDiv1_007285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007285. Following Lipinski's Rule of Five, ChemDiv1_007285 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 ChemDiv1_007285?
The CAS number of ChemDiv1_007285 is 361198-07-4.
What is the molecular formula of ChemDiv1_007285?
The molecular formula of ChemDiv1_007285 is C24H18ClN5OS2.
What is the molecular weight of ChemDiv1_007285?
The molecular weight of ChemDiv1_007285 is 491.06 g/mol.
Where can I buy ChemDiv1_007285?
You can request a quote for ChemDiv1_007285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007285?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.