(E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate
TL;DR: (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate (CAS 609790-70-7) is a chemical compound with molecular formula C20H15ClN4O6S and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-chloro-5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate
Also Known As: (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate, methyl 3-({4-chloro-5-[(E)-{2-[(4-nitrophenyl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoate, methyl 3-[[4-chloro-5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate
| Molecular Formula | C20H15ClN4O6S |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 3.0702 |
| Topological Polar Surface Area | 132.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.04007 |
| Heavy Atoms | 32 |
| Complexity | 1265.8395 |
Chemical Identifiers
| CAS Number | 609790-70-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
(E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate (CAS 609790-70-7), with molecular formula C20H15ClN4O6S and molecular weight 474.04 g/mol. IUPAC: methyl 3-[[4-chloro-5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate.
Chemical Property Profile of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate
Property Insights of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate
The XLogP value of 3.0702 indicates that (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate 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 (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
The CAS number of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is 609790-70-7.
What is the molecular formula of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
The molecular formula of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is C20H15ClN4O6S.
What is the molecular weight of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
The molecular weight of (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is 474.04 g/mol.
Where can I buy (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
You can request a quote for (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 3-((4-chloro-5-((2-(4-nitrobenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.