BAS 00584486
TL;DR: BAS 00584486 (CAS 128811-97-2) is a chemical compound with molecular formula C19H19NO4S2 and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-7-oxo-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: BAS 00584486, ethyl 2-(acetylamino)-7-oxo-6-(phenylsulfanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AF-966/00550027, ethyl 2-acetamido-7-oxo-6-(phenylsulfanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-7-oxo-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H19NO4S2 |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 4.173 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.07556 |
| Heavy Atoms | 26 |
| Complexity | 844.72406 |
Chemical Identifiers
| CAS Number | 128811-97-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2=O)SC3=CC=CC=C3)NC(=O)C |
Product Overview
BAS 00584486 (CAS 128811-97-2), with molecular formula C19H19NO4S2 and molecular weight 389.08 g/mol. IUPAC: ethyl 2-acetamido-7-oxo-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00584486
Property Insights of BAS 00584486
The XLogP value of 4.173 indicates that BAS 00584486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584486. Following Lipinski's Rule of Five, BAS 00584486 has 1 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 BAS 00584486?
The CAS number of BAS 00584486 is 128811-97-2.
What is the molecular formula of BAS 00584486?
The molecular formula of BAS 00584486 is C19H19NO4S2.
What is the molecular weight of BAS 00584486?
The molecular weight of BAS 00584486 is 389.08 g/mol.
Where can I buy BAS 00584486?
You can request a quote for BAS 00584486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584486?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.