A1171/0054453
TL;DR: A1171/0054453 (CAS 311333-47-8) is a chemical compound with molecular formula C30H31N3O3S and molecular weight 513.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-amino-8-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Also Known As: A1171/0054453, (Z)-ethyl 5-amino-8-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate, ethyl (2Z)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate, ethyl (2Z)-5-amino-8-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate, ETHYL (2Z)-5-AMINO-8-CYANO-3-OXO-7-[4-(PROPAN-2-YL)PHENYL]-2-{[4-(PROPAN-2-YL)PHENYL]METHYLIDENE}-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6-CARBOXYLATE
| Molecular Formula | C30H31N3O3S |
|---|---|
| Molecular Weight | 513.21 g/mol |
| LogP | 4.14748 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.2086 |
| Heavy Atoms | 37 |
| Complexity | 1581.8125 |
Chemical Identifiers
| CAS Number | 311333-47-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C(=C(C1C3=CC=C(C=C3)C(C)C)C#N)S/C(=C\C4=CC=C(C=C4)C(C)C)/C2=O)N |
Product Overview
A1171/0054453 (CAS 311333-47-8), with molecular formula C30H31N3O3S and molecular weight 513.21 g/mol. IUPAC: ethyl (2Z)-5-amino-8-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.
Chemical Property Profile of A1171/0054453
Property Insights of A1171/0054453
The XLogP value of 4.14748 indicates that A1171/0054453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A1171/0054453. Following Lipinski's Rule of Five, A1171/0054453 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1171/0054453?
The CAS number of A1171/0054453 is 311333-47-8.
What is the molecular formula of A1171/0054453?
The molecular formula of A1171/0054453 is C30H31N3O3S.
What is the molecular weight of A1171/0054453?
The molecular weight of A1171/0054453 is 513.21 g/mol.
Where can I buy A1171/0054453?
You can request a quote for A1171/0054453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1171/0054453?
Yes, KEHONG BIO provides custom synthesis services for A1171/0054453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.