BAS 00379905
TL;DR: BAS 00379905 (CAS 331275-45-7) is a chemical compound with molecular formula C15H13BrClNO5S and molecular weight 432.94 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-chloroacetyl)oxy-1-benzothiophene-3-carboxylate
Also Known As: BAS 00379905, ethyl 2-(acetylamino)-6-bromo-7-[(chloroacetyl)oxy]-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-(2-chloroacetyl)oxy-1-benzothiophene-3-carboxylate, ETHYL 6-BROMO-7-[(2-CHLOROACETYL)OXY]-2-ACETAMIDO-1-BENZOTHIOPHENE-3-CARBOXYLATE, Ethyl 2-acetamido-6-bromo-7-(2-chloroacetoxy)benzo[b]thiophene-3-carboxylate
| Molecular Formula | C15H13BrClNO5S |
|---|---|
| Molecular Weight | 432.94 g/mol |
| LogP | 3.9431 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.93863 |
| Heavy Atoms | 24 |
| Complexity | 819.7876 |
Chemical Identifiers
| CAS Number | 331275-45-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OC(=O)CCl)Br)NC(=O)C |
Product Overview
BAS 00379905 (CAS 331275-45-7), with molecular formula C15H13BrClNO5S and molecular weight 432.94 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-(2-chloroacetyl)oxy-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00379905
Property Insights of BAS 00379905
The XLogP value of 3.9431 indicates that BAS 00379905 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 00379905. Following Lipinski's Rule of Five, BAS 00379905 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 00379905?
The CAS number of BAS 00379905 is 331275-45-7.
What is the molecular formula of BAS 00379905?
The molecular formula of BAS 00379905 is C15H13BrClNO5S.
What is the molecular weight of BAS 00379905?
The molecular weight of BAS 00379905 is 432.94 g/mol.
Where can I buy BAS 00379905?
You can request a quote for BAS 00379905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379905?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.