![(Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate structure](/static/products/518/518995-77-2.png)
(Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
TL;DR: (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate (CAS 518995-77-2) is a chemical compound with molecular formula C27H21ClN4O3S2 and molecular weight 548.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-[2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzoate
Also Known As: (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate, methyl 4-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate, methyl 4-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfanylmethyl]-5-oxopyrazol-4-ylidene]ethyl]amino]benzoate, Methyl 4-[[1-[1-(2-benzothiazolyl)-3-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-1H-pyrazol-4-yl]ethylidene]amino]benzoate, methyl 4-[1-[1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfanylmethyl]-5-oxopyrazol-4-ylidene]ethylamino]benzoate
| Molecular Formula | C27H21ClN4O3S2 |
|---|---|
| Molecular Weight | 548.07 g/mol |
| LogP | 6.6483 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.07434 |
| Heavy Atoms | 37 |
| Complexity | 1635.8826 |
Chemical Identifiers
| CAS Number | 518995-77-2 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)C(=O)OC)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl |
Product Overview
(Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate (CAS 518995-77-2), with molecular formula C27H21ClN4O3S2 and molecular weight 548.07 g/mol. IUPAC: methyl 4-[1-[2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzoate.
Chemical Property Profile of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
Property Insights of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
The XLogP value of 6.6483 indicates that (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
The CAS number of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is 518995-77-2.
What is the molecular formula of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
The molecular formula of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is C27H21ClN4O3S2.
What is the molecular weight of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
The molecular weight of (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is 548.07 g/mol.
Where can I buy (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
You can request a quote for (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.