2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal
TL;DR: 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal (CAS 17164-74-8) is a chemical compound with molecular formula C7H4BrNO3S and molecular weight 260.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-(5-nitrothiophen-2-yl)prop-2-enal
Also Known As: (Z)-2-bromo-3-(5-nitrothiophen-2-yl)prop-2-enal
| Molecular Formula | C7H4BrNO3S |
|---|---|
| Molecular Weight | 260.91 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.90952 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 17164-74-8 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C=C(C=O)Br |
| InChIKey | WQMFYICWGKSLTN-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal (CAS 17164-74-8), with molecular formula C7H4BrNO3S and molecular weight 260.91 g/mol. IUPAC: 2-bromo-3-(5-nitrothiophen-2-yl)prop-2-enal.
Chemical Property Profile of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal
Property Insights of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal. Following Lipinski's Rule of Five, 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal has 0 hydrogen bond donor(s) and 4 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-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal?
The CAS number of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal is 17164-74-8.
What is the molecular formula of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal?
The molecular formula of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal is C7H4BrNO3S.
What is the molecular weight of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal?
The molecular weight of 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal is 260.91 g/mol.
Where can I buy 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal?
You can request a quote for 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-(5-nitrothiophen-2-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.