A1987/0083546
TL;DR: A1987/0083546 (CAS 312521-87-2) is a chemical compound with molecular formula C29H26N2O5S and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: A1987/0083546, ethyl 2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-5-(1-naphthyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2E)-2-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-7-METHYL-5-(NAPHTHALEN-1-YL)-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C29H26N2O5S |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 4.0558 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.15625 |
| Heavy Atoms | 37 |
| Complexity | 1726.0162 |
Chemical Identifiers
| CAS Number | 312521-87-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC5=CC=CC=C54)O |
Product Overview
A1987/0083546 (CAS 312521-87-2), with molecular formula C29H26N2O5S and molecular weight 514.16 g/mol. IUPAC: ethyl (2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of A1987/0083546
Property Insights of A1987/0083546
The XLogP value of 4.0558 indicates that A1987/0083546 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for A1987/0083546. Following Lipinski's Rule of Five, A1987/0083546 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 A1987/0083546?
The CAS number of A1987/0083546 is 312521-87-2.
What is the molecular formula of A1987/0083546?
The molecular formula of A1987/0083546 is C29H26N2O5S.
What is the molecular weight of A1987/0083546?
The molecular weight of A1987/0083546 is 514.16 g/mol.
Where can I buy A1987/0083546?
You can request a quote for A1987/0083546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1987/0083546?
Yes, KEHONG BIO provides custom synthesis services for A1987/0083546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.