BAS 00379920
TL;DR: BAS 00379920 (CAS 331275-47-9) is a chemical compound with molecular formula C21H17BrN2O7S and molecular weight 519.99 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-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Also Known As: BAS 00379920, AH-262/34902012, ethyl 2-(acetylamino)-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-(2-(4-nitrophenyl)-2-oxoethoxy)benzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H17BrN2O7S |
|---|---|
| Molecular Weight | 519.99 g/mol |
| LogP | 4.9688 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.99396 |
| Heavy Atoms | 32 |
| Complexity | 1221.1063 |
Chemical Identifiers
| CAS Number | 331275-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C |
Product Overview
BAS 00379920 (CAS 331275-47-9), with molecular formula C21H17BrN2O7S and molecular weight 519.99 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00379920
Property Insights of BAS 00379920
The XLogP value of 4.9688 indicates that BAS 00379920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00379920. Following Lipinski's Rule of Five, BAS 00379920 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00379920?
The CAS number of BAS 00379920 is 331275-47-9.
What is the molecular formula of BAS 00379920?
The molecular formula of BAS 00379920 is C21H17BrN2O7S.
What is the molecular weight of BAS 00379920?
The molecular weight of BAS 00379920 is 519.99 g/mol.
Where can I buy BAS 00379920?
You can request a quote for BAS 00379920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379920?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.