BAS 01041782
TL;DR: BAS 01041782 (CAS 309736-33-2) is a chemical compound with molecular formula C23H23BrN2O5S and molecular weight 518.05 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-(2,6-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Also Known As: BAS 01041782, AH-262/36337010, ethyl 2-(acetylamino)-6-bromo-7-[2-(2,6-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-[2-(2,6-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate, ethyl 2-(acetylamino)-7-{[N-(2,6-dimethylphenyl)carbamoyl]methoxy}-6-bromobenz o[b]thiophene-3-carboxylate
| Molecular Formula | C23H23BrN2O5S |
|---|---|
| Molecular Weight | 518.05 g/mol |
| LogP | 5.43324 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.0511 |
| Heavy Atoms | 32 |
| Complexity | 1184.5552 |
Chemical Identifiers
| CAS Number | 309736-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)NC3=C(C=CC=C3C)C)Br)NC(=O)C |
Product Overview
BAS 01041782 (CAS 309736-33-2), with molecular formula C23H23BrN2O5S and molecular weight 518.05 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-[2-(2,6-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01041782
Property Insights of BAS 01041782
The XLogP value of 5.43324 indicates that BAS 01041782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01041782. Following Lipinski's Rule of Five, BAS 01041782 has 2 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 01041782?
The CAS number of BAS 01041782 is 309736-33-2.
What is the molecular formula of BAS 01041782?
The molecular formula of BAS 01041782 is C23H23BrN2O5S.
What is the molecular weight of BAS 01041782?
The molecular weight of BAS 01041782 is 518.05 g/mol.
Where can I buy BAS 01041782?
You can request a quote for BAS 01041782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01041782?
Yes, KEHONG BIO provides custom synthesis services for BAS 01041782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.