![dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate structure](/static/products/4325/432536-40-8.webp)
dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate
TL;DR: dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate (CAS 432536-40-8) is a chemical compound with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]ethylideneamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate, (Z)-dimethyl 5-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)ethyl)amino)isophthalate, dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-({1-[(4Z)-1-(1,3-BENZOTHIAZOL-2-YL)-5-OXO-3-PROPYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]ETHYL}AMINO)BENZENE-1,3-DICARBOXYLATE, dimethyl 5-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-propyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C25H24N4O5S |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 4.4417 |
| Topological Polar Surface Area | 115.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.14673 |
| Heavy Atoms | 35 |
| Complexity | 1444.5725 |
Chemical Identifiers
| CAS Number | 432536-40-8 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate (CAS 432536-40-8), with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol. IUPAC: dimethyl 5-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]ethylideneamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate
Property Insights of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate
The XLogP value of 4.4417 indicates that dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.64 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate has 1 hydrogen bond donor(s) and 8 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 dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate?
The CAS number of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate is 432536-40-8.
What is the molecular formula of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate?
The molecular formula of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate is C25H24N4O5S.
What is the molecular weight of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate?
The molecular weight of dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate is 492.15 g/mol.
Where can I buy dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate?
You can request a quote for dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.