2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate (CAS 903817-63-0) is a chemical compound with molecular formula C13H8BrNO5S and molecular weight 368.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
Also Known As: 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate, [2-(4-bromophenyl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate, 2-(4-Bromophenyl)-2-oxoethyl 5-nitrothiophene-2-carboxylate
| Molecular Formula | C13H8BrNO5S |
|---|---|
| Molecular Weight | 368.93 g/mol |
| LogP | 3.4585 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.93066 |
| Heavy Atoms | 21 |
| Complexity | 694.8421 |
Chemical Identifiers
| CAS Number | 903817-63-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate (CAS 903817-63-0), with molecular formula C13H8BrNO5S and molecular weight 368.93 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate
The XLogP value of 3.4585 indicates that 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate has 0 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 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate is 903817-63-0.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate is C13H8BrNO5S.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate is 368.93 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 5-nitro-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.