3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran
TL;DR: 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran (CAS 866151-76-0) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,2,4-trimethyl-7-nitro-3H-1-benzofuran
Also Known As: 3-bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran, 3-bromo-2,2,4-trimethyl-7-nitro-3H-1-benzofuran, 3-bromo-2,2,4-trimethyl-7-nitro-3H-benzofuran
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 3.51022 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 470.54263 |
Chemical Identifiers
| CAS Number | 866151-76-0 |
|---|---|
| SMILES | CC1=C2C(C(OC2=C(C=C1)[N+](=O)[O-])(C)C)Br |
Product Overview
3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran (CAS 866151-76-0), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: 3-bromo-2,2,4-trimethyl-7-nitro-3H-1-benzofuran.
Chemical Property Profile of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran
Property Insights of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran
The XLogP value of 3.51022 indicates that 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran has 0 hydrogen bond donor(s) and 3 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 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran?
The CAS number of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran is 866151-76-0.
What is the molecular formula of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran?
The molecular formula of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran is C11H12BrNO3.
What is the molecular weight of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran?
The molecular weight of 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran is 285.00 g/mol.
Where can I buy 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran?
You can request a quote for 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.