BAS 00584487
TL;DR: BAS 00584487 (CAS 81930-79-2) is a chemical compound with molecular formula C19H17NO4S and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00584487, ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-(1,3-dioxoisoindolin-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Ethyl 2-(1,3-dioxoisoindolin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H17NO4S |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | 3.6042 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.08783 |
| Heavy Atoms | 25 |
| Complexity | 863.8242 |
Chemical Identifiers
| CAS Number | 81930-79-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
BAS 00584487 (CAS 81930-79-2), with molecular formula C19H17NO4S and molecular weight 355.09 g/mol. IUPAC: ethyl 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00584487
Property Insights of BAS 00584487
The XLogP value of 3.6042 indicates that BAS 00584487 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584487. Following Lipinski's Rule of Five, BAS 00584487 has 0 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 BAS 00584487?
The CAS number of BAS 00584487 is 81930-79-2.
What is the molecular formula of BAS 00584487?
The molecular formula of BAS 00584487 is C19H17NO4S.
What is the molecular weight of BAS 00584487?
The molecular weight of BAS 00584487 is 355.09 g/mol.
Where can I buy BAS 00584487?
You can request a quote for BAS 00584487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584487?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.