2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
TL;DR: 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol (CAS 82040-71-9) is a chemical compound with molecular formula C10H10BrNO4 and molecular weight 286.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
Also Known As: Carbidopa Related Compound 5, 2-Bromo-6-methoxy-4-(2-nitro-1-propenyl)phenol, 2-bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol, (E)-2-bromo-6-methoxy-4-(2-nitroprop-1-en-1-yl)phenol
| Molecular Formula | C10H10BrNO4 |
|---|---|
| Molecular Weight | 286.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.9793 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 82040-71-9 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C(=C1)Br)O)OC)[N+](=O)[O-] |
| InChIKey | QLYHSPFQXJQEPS-UHFFFAOYSA-N |
Product Overview
2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol (CAS 82040-71-9), with molecular formula C10H10BrNO4 and molecular weight 286.98 g/mol. IUPAC: 2-bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol.
Chemical Property Profile of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
Property Insights of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol. Following Lipinski's Rule of Five, 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol has 1 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-6-methoxy-4-(2-nitroprop-1-enyl)phenol?
The CAS number of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol is 82040-71-9.
What is the molecular formula of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol?
The molecular formula of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol is C10H10BrNO4.
What is the molecular weight of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol?
The molecular weight of 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol is 286.98 g/mol.
Where can I buy 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol?
You can request a quote for 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.