BAS 00024578
TL;DR: BAS 00024578 (CAS 113407-98-0) is a chemical compound with molecular formula C21H17Br2NO5S and molecular weight 552.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Also Known As: BAS 00024578, AH-262/34642010, ethyl 2-(acetylamino)-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-(2-(4-bromophenyl)-2-oxoethoxy)benzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H17Br2NO5S |
|---|---|
| Molecular Weight | 552.92 g/mol |
| LogP | 5.8231 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.91943 |
| Heavy Atoms | 30 |
| Complexity | 1124.6223 |
Chemical Identifiers
| CAS Number | 113407-98-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)Br)Br)NC(=O)C |
Product Overview
BAS 00024578 (CAS 113407-98-0), with molecular formula C21H17Br2NO5S and molecular weight 552.92 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00024578
Property Insights of BAS 00024578
The XLogP value of 5.8231 indicates that BAS 00024578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00024578. Following Lipinski's Rule of Five, BAS 00024578 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00024578?
The CAS number of BAS 00024578 is 113407-98-0.
What is the molecular formula of BAS 00024578?
The molecular formula of BAS 00024578 is C21H17Br2NO5S.
What is the molecular weight of BAS 00024578?
The molecular weight of BAS 00024578 is 552.92 g/mol.
Where can I buy BAS 00024578?
You can request a quote for BAS 00024578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00024578?
Yes, KEHONG BIO provides custom synthesis services for BAS 00024578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.