![methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate structure](/static/products/445/445223-10-9.png)
methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
TL;DR: methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CAS 445223-10-9) is a chemical compound with molecular formula C30H26N2O5S2 and molecular weight 558.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-amino-6-(benzenesulfonyl)-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, methyl (2Z)-5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, methyl (2Z)-5-amino-6-(benzenesulfonyl)-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, (Z)-methyl 5-amino-2-(4-methylbenzylidene)-3-oxo-6-(phenylsulfonyl)-7-(p-tolyl)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, METHYL (2Z)-5-AMINO-6-(BENZENESULFONYL)-7-(4-METHYLPHENYL)-2-[(4-METHYLPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBOXYLATE
| Molecular Formula | C30H26N2O5S2 |
|---|---|
| Molecular Weight | 558.13 g/mol |
| LogP | 3.03524 |
| Topological Polar Surface Area | 108.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.1283 |
| Heavy Atoms | 39 |
| Complexity | 1900.1407 |
Chemical Identifiers
| CAS Number | 445223-10-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C(=O)OC)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=CC=C5)N |
Product Overview
methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CAS 445223-10-9), with molecular formula C30H26N2O5S2 and molecular weight 558.13 g/mol. IUPAC: methyl (2Z)-5-amino-6-(benzenesulfonyl)-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Property Insights of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
The XLogP value of 3.03524 indicates that methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.46 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate 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 methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The CAS number of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is 445223-10-9.
What is the molecular formula of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular formula of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is C30H26N2O5S2.
What is the molecular weight of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular weight of methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is 558.13 g/mol.
Where can I buy methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
You can request a quote for methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-2-(4-methylbenzylidene)-7-(4-methylphenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.