BAS 02101864
TL;DR: BAS 02101864 (CAS 373613-64-0) is a chemical compound with molecular formula C20H17ClN4O2S2 and molecular weight 444.05 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-(2-hydroxyethyliminomethyl)-1H-pyrazol-3-one
Also Known As: BAS 02101864, 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(2-hydroxyethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(2-hydroxyethylamino)methylidene]pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(2-hydroxyethylamino)methylidene]pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-5-(((4-chlorophenyl)thio)methyl)-4-(((2-hydroxyethyl)imino)methyl)-1H-pyrazol-3(2H)-one
| Molecular Formula | C20H17ClN4O2S2 |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 4.1322 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.04816 |
| Heavy Atoms | 29 |
| Complexity | 1178.4274 |
Chemical Identifiers
| CAS Number | 373613-64-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)CSC4=CC=C(C=C4)Cl)C=NCCO |
Product Overview
BAS 02101864 (CAS 373613-64-0), with molecular formula C20H17ClN4O2S2 and molecular weight 444.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(2-hydroxyethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 02101864
Property Insights of BAS 02101864
The XLogP value of 4.1322 indicates that BAS 02101864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02101864. Following Lipinski's Rule of Five, BAS 02101864 has 2 hydrogen bond donor(s) and 6 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 BAS 02101864?
The CAS number of BAS 02101864 is 373613-64-0.
What is the molecular formula of BAS 02101864?
The molecular formula of BAS 02101864 is C20H17ClN4O2S2.
What is the molecular weight of BAS 02101864?
The molecular weight of BAS 02101864 is 444.05 g/mol.
Where can I buy BAS 02101864?
You can request a quote for BAS 02101864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02101864?
Yes, KEHONG BIO provides custom synthesis services for BAS 02101864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.