A1576/0068629
TL;DR: A1576/0068629 (CAS 88399-82-0) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2-carboxylate
Also Known As: A1576/0068629, ETHYL 4-CYANO-5-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-3-METHYL-2-THIOPHENECARBOXYLATE, ethyl 4-cyano-5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylthiophene-2-carboxylate
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 88399-82-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC=CC=C3C2=O)C#N)C |
| InChIKey | HNDKMUGHXUMZMG-UHFFFAOYSA-N |
Product Overview
A1576/0068629 (CAS 88399-82-0), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: ethyl 4-cyano-5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2-carboxylate.
Chemical Property Profile of A1576/0068629
Property Insights of A1576/0068629
The XLogP value of 3.1 indicates that A1576/0068629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A1576/0068629. Following Lipinski's Rule of Five, A1576/0068629 has 0 hydrogen bond donor(s) and 6 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 A1576/0068629?
The CAS number of A1576/0068629 is 88399-82-0.
What is the molecular formula of A1576/0068629?
The molecular formula of A1576/0068629 is C17H12N2O4S.
What is the molecular weight of A1576/0068629?
The molecular weight of A1576/0068629 is 340.05 g/mol.
Where can I buy A1576/0068629?
You can request a quote for A1576/0068629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1576/0068629?
Yes, KEHONG BIO provides custom synthesis services for A1576/0068629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.