(E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate
TL;DR: (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate (CAS 609790-91-2) is a chemical compound with molecular formula C20H16ClN3O5S and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-chloro-5-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate
Also Known As: (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate, methyl 3-({4-chloro-5-[(E)-{2-[(3-hydroxyphenyl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoate, methyl 3-[[4-chloro-5-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate
| Molecular Formula | C20H16ClN3O5S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 2.8676 |
| Topological Polar Surface Area | 109.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.04993 |
| Heavy Atoms | 30 |
| Complexity | 1185.1802 |
Chemical Identifiers
| CAS Number | 609790-91-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC(=CC=C3)O)Cl |
Product Overview
(E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate (CAS 609790-91-2), with molecular formula C20H16ClN3O5S and molecular weight 445.05 g/mol. IUPAC: methyl 3-[[4-chloro-5-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate.
Chemical Property Profile of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate
Property Insights of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate
The XLogP value of 2.8676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate. The TPSA of 109.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate has 2 hydrogen bond donor(s) and 7 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-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
The CAS number of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is 609790-91-2.
What is the molecular formula of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
The molecular formula of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is C20H16ClN3O5S.
What is the molecular weight of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
The molecular weight of (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate is 445.05 g/mol.
Where can I buy (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
You can request a quote for (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)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-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 3-((4-chloro-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.