A1986/0083515
TL;DR: A1986/0083515 (CAS 292874-56-7) is a chemical compound with molecular formula C41H31N3O5S and molecular weight 677.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: A1986/0083515, ethyl 2-{4-[(2-cyanobenzyl)oxy]benzylidene}-5-(2-methoxy-1-naphthyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-{4-[(2-cyanobenzyl)oxy]benzylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C41H31N3O5S |
|---|---|
| Molecular Weight | 677.20 g/mol |
| LogP | 6.54808 |
| Topological Polar Surface Area | 102.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 677.1984 |
| Heavy Atoms | 50 |
| Complexity | 2492.9558 |
Chemical Identifiers
| CAS Number | 292874-56-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)/C(=C\C5=CC=C(C=C5)OCC6=CC=CC=C6C#N)/S2)C7=CC=CC=C7 |
Product Overview
A1986/0083515 (CAS 292874-56-7), with molecular formula C41H31N3O5S and molecular weight 677.20 g/mol. IUPAC: ethyl (2E)-2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of A1986/0083515
Property Insights of A1986/0083515
The XLogP value of 6.54808 indicates that A1986/0083515 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A1986/0083515. Following Lipinski's Rule of Five, A1986/0083515 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1986/0083515?
The CAS number of A1986/0083515 is 292874-56-7.
What is the molecular formula of A1986/0083515?
The molecular formula of A1986/0083515 is C41H31N3O5S.
What is the molecular weight of A1986/0083515?
The molecular weight of A1986/0083515 is 677.20 g/mol.
Where can I buy A1986/0083515?
You can request a quote for A1986/0083515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1986/0083515?
Yes, KEHONG BIO provides custom synthesis services for A1986/0083515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.