![2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one structure](/static/products/2999/299937-86-3.webp)
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one
TL;DR: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one (CAS 299937-86-3) is a chemical compound with molecular formula C17H12ClN3OS2 and molecular weight 373.01 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]-4H-pyrazol-3-one
Also Known As: ChemDiv3_001217, IDI1_020183, BRD-K25564745-001-01-9, BRD-K25564745-001-02-7, 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one
| Molecular Formula | C17H12ClN3OS2 |
|---|---|
| Molecular Weight | 373.01 g/mol |
| LogP | 4.8347 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.01102 |
| Heavy Atoms | 24 |
| Complexity | 903.41846 |
Chemical Identifiers
| CAS Number | 299937-86-3 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl |
Product Overview
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one (CAS 299937-86-3), with molecular formula C17H12ClN3OS2 and molecular weight 373.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one
Property Insights of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one
The XLogP value of 4.8347 indicates that 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one has 0 hydrogen bond donor(s) and 5 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 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one?
The CAS number of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one is 299937-86-3.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one is C17H12ClN3OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one is 373.01 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.