![(Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate structure](/static/products/353/353462-00-7.png)
(Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate
TL;DR: (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate (CAS 353462-00-7) is a chemical compound with molecular formula C26H18N4O5S and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[5-amino-6,8-dicyano-7-(4-methoxycarbonylphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate, methyl 4-[(Z)-[5-amino-6,8-dicyano-7-(4-methoxycarbonylphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]benzoate, methyl 4-{5-amino-6,8-dicyano-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-7-yl}benzoate, METHYL 4-[(2Z)-5-AMINO-6,8-DICYANO-2-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDIN-7-YL]BENZOATE
| Molecular Formula | C26H18N4O5S |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 1.43436 |
| Topological Polar Surface Area | 148.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.0998 |
| Heavy Atoms | 36 |
| Complexity | 1681.4137 |
Chemical Identifiers
| CAS Number | 353462-00-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=C(C=C4)C(=O)OC)C#N)N |
Product Overview
(Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate (CAS 353462-00-7), with molecular formula C26H18N4O5S and molecular weight 498.10 g/mol. IUPAC: methyl 4-[(Z)-[5-amino-6,8-dicyano-7-(4-methoxycarbonylphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate
Property Insights of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate
The XLogP value of 1.43436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate. The TPSA of 148.2 Ų indicates high polarity, suggesting (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate has 1 hydrogen bond donor(s) and 9 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 (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate?
The CAS number of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate is 353462-00-7.
What is the molecular formula of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate?
The molecular formula of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate is C26H18N4O5S.
What is the molecular weight of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate?
The molecular weight of (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate is 498.10 g/mol.
Where can I buy (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate?
You can request a quote for (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)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-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(5-amino-6,8-dicyano-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridin-7-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.