BIM-0041778.P001
TL;DR: BIM-0041778.P001 (CAS 49568-28-7) is a chemical compound with molecular formula C15H14BrNO5S2 and molecular weight 430.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-bromo-2-nitrophenyl)sulfanyl-4-methoxy-2-methylthiophene-3-carboxylate
Also Known As: BIM-0041778.P001, AH-262/36680004, ethyl 5-({4-bromo-2-nitrophenyl}sulfanyl)-4-methoxy-2-methyl-3-thiophenecarboxylate, ethyl 5-(4-bromo-2-nitrophenyl)sulfanyl-4-methoxy-2-methylthiophene-3-carboxylate, ethyl 5-((4-bromo-2-nitrophenyl)thio)-4-methoxy-2-methylthiophene-3-carboxylate
| Molecular Formula | C15H14BrNO5S2 |
|---|---|
| Molecular Weight | 430.95 g/mol |
| LogP | 5.06372 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.94968 |
| Heavy Atoms | 24 |
| Complexity | 790.41187 |
Chemical Identifiers
| CAS Number | 49568-28-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1OC)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])C |
Product Overview
BIM-0041778.P001 (CAS 49568-28-7), with molecular formula C15H14BrNO5S2 and molecular weight 430.95 g/mol. IUPAC: ethyl 5-(4-bromo-2-nitrophenyl)sulfanyl-4-methoxy-2-methylthiophene-3-carboxylate.
Chemical Property Profile of BIM-0041778.P001
Property Insights of BIM-0041778.P001
The XLogP value of 5.06372 indicates that BIM-0041778.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0041778.P001. Following Lipinski's Rule of Five, BIM-0041778.P001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0041778.P001?
The CAS number of BIM-0041778.P001 is 49568-28-7.
What is the molecular formula of BIM-0041778.P001?
The molecular formula of BIM-0041778.P001 is C15H14BrNO5S2.
What is the molecular weight of BIM-0041778.P001?
The molecular weight of BIM-0041778.P001 is 430.95 g/mol.
Where can I buy BIM-0041778.P001?
You can request a quote for BIM-0041778.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0041778.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0041778.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.