BAS 01257427
TL;DR: BAS 01257427 (CAS 337341-88-5) is a chemical compound with molecular formula C21H18ClN3O2S2 and molecular weight 443.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-ethoxyethylidene)pyrazol-3-one
Also Known As: BAS 01257427, (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-ethoxyethylidene)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-ethoxyethylidene)-2,4-dihydro-3H-pyrazol-3-one, (Z)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-4-(1-ethoxyethylidene)-1H-pyrazol-5(4H)-one, 1-benzothiazol-2-yl-3-[(4-chlorophenylthio)methyl]-4-(ethoxyethylidene)-1,2-di azolin-5-one
| Molecular Formula | C21H18ClN3O2S2 |
|---|---|
| Molecular Weight | 443.05 g/mol |
| LogP | 5.7551 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.0529 |
| Heavy Atoms | 29 |
| Complexity | 1089.4165 |
Chemical Identifiers
| CAS Number | 337341-88-5 |
|---|---|
| SMILES | CCO/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)/C |
Product Overview
BAS 01257427 (CAS 337341-88-5), with molecular formula C21H18ClN3O2S2 and molecular weight 443.05 g/mol. IUPAC: (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-ethoxyethylidene)pyrazol-3-one.
Chemical Property Profile of BAS 01257427
Property Insights of BAS 01257427
The XLogP value of 5.7551 indicates that BAS 01257427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, BAS 01257427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01257427 has 0 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 BAS 01257427?
The CAS number of BAS 01257427 is 337341-88-5.
What is the molecular formula of BAS 01257427?
The molecular formula of BAS 01257427 is C21H18ClN3O2S2.
What is the molecular weight of BAS 01257427?
The molecular weight of BAS 01257427 is 443.05 g/mol.
Where can I buy BAS 01257427?
You can request a quote for BAS 01257427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257427?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.