![(2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile structure](/static/products/328/328071-68-7.png)
(2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
TL;DR: (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (CAS 328071-68-7) is a chemical compound with molecular formula C22H13BrN4OS and molecular weight 460.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Also Known As: (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, (E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
| Molecular Formula | C22H13BrN4OS |
|---|---|
| Molecular Weight | 460.00 g/mol |
| LogP | 2.62366 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.99933 |
| Heavy Atoms | 29 |
| Complexity | 1418.4111 |
Chemical Identifiers
| CAS Number | 328071-68-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC(=CC=C4)Br)C#N)N |
Product Overview
(2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (CAS 328071-68-7), with molecular formula C22H13BrN4OS and molecular weight 460.00 g/mol. IUPAC: (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.
Chemical Property Profile of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Property Insights of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
The XLogP value of 2.62366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile. Following Lipinski's Rule of Five, (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile has 1 hydrogen bond donor(s) and 5 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 (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The CAS number of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is 328071-68-7.
What is the molecular formula of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The molecular formula of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is C22H13BrN4OS.
What is the molecular weight of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
The molecular weight of (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is 460.00 g/mol.
Where can I buy (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
You can request a quote for (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-5-amino-2-benzylidene-7-(3-bromophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.