starbld0031846
TL;DR: starbld0031846 (CAS 113407-90-2) is a chemical compound with molecular formula C13H13Br2NO4S and molecular weight 436.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxylate
Also Known As: starbld0031846, ethyl 2-(acetylamino)-6,6-dibromo-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AH-262/32338045, Ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C13H13Br2NO4S |
|---|---|
| Molecular Weight | 436.89 g/mol |
| LogP | 3.4982 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.8932 |
| Heavy Atoms | 21 |
| Complexity | 623.9326 |
Chemical Identifiers
| CAS Number | 113407-90-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2=O)(Br)Br)NC(=O)C |
Product Overview
starbld0031846 (CAS 113407-90-2), with molecular formula C13H13Br2NO4S and molecular weight 436.89 g/mol. IUPAC: ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of starbld0031846
Property Insights of starbld0031846
The XLogP value of 3.4982 indicates that starbld0031846 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 starbld0031846. Following Lipinski's Rule of Five, starbld0031846 has 1 hydrogen bond donor(s) and 5 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 starbld0031846?
The CAS number of starbld0031846 is 113407-90-2.
What is the molecular formula of starbld0031846?
The molecular formula of starbld0031846 is C13H13Br2NO4S.
What is the molecular weight of starbld0031846?
The molecular weight of starbld0031846 is 436.89 g/mol.
Where can I buy starbld0031846?
You can request a quote for starbld0031846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0031846?
Yes, KEHONG BIO provides custom synthesis services for starbld0031846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.