ChemDiv1_007241
TL;DR: ChemDiv1_007241 (CAS 361198-06-3) is a chemical compound with molecular formula C24H21ClN6OS2 and molecular weight 508.09 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-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrazol-3-one
Also Known As: ChemDiv1_007241, F0911-7664, (E)-4-(((3-(1H-imidazol-1-yl)propyl)amino)methylene)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-1H-pyrazol-5(4H)-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-imidazol-1-ylpropylamino)methylidene]pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C24H21ClN6OS2 |
|---|---|
| Molecular Weight | 508.09 g/mol |
| LogP | 5.4267 |
| Topological Polar Surface Area | 80.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.09067 |
| Heavy Atoms | 34 |
| Complexity | 1434.7003 |
Chemical Identifiers
| CAS Number | 361198-06-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)CSC4=CC=C(C=C4)Cl)C=NCCCN5C=CN=C5 |
Product Overview
ChemDiv1_007241 (CAS 361198-06-3), with molecular formula C24H21ClN6OS2 and molecular weight 508.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_007241
Property Insights of ChemDiv1_007241
The XLogP value of 5.4267 indicates that ChemDiv1_007241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007241. Following Lipinski's Rule of Five, ChemDiv1_007241 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_007241?
The CAS number of ChemDiv1_007241 is 361198-06-3.
What is the molecular formula of ChemDiv1_007241?
The molecular formula of ChemDiv1_007241 is C24H21ClN6OS2.
What is the molecular weight of ChemDiv1_007241?
The molecular weight of ChemDiv1_007241 is 508.09 g/mol.
Where can I buy ChemDiv1_007241?
You can request a quote for ChemDiv1_007241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007241?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.