Benzofuran, 3-methyl-2-nitro-
TL;DR: Benzofuran, 3-methyl-2-nitro- (CAS 87977-35-3) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-nitro-1-benzofuran
Also Known As: 3-Methyl-2-nitrobenzofuran, 1-Methyl-2-nitrobenzofuran, 3-methyl-2-nitro-1-benzofuran, BENZOFURAN, 3-METHYL-2-NITRO-, BRN 4407744
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 87977-35-3 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)[N+](=O)[O-] |
| InChIKey | CLODDJSSOKWPFX-UHFFFAOYSA-N |
Product Overview
Benzofuran, 3-methyl-2-nitro- (CAS 87977-35-3), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 3-methyl-2-nitro-1-benzofuran.
Chemical Property Profile of Benzofuran, 3-methyl-2-nitro-
Property Insights of Benzofuran, 3-methyl-2-nitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofuran, 3-methyl-2-nitro-. With a topological polar surface area (TPSA) of 59.0 Ų, Benzofuran, 3-methyl-2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzofuran, 3-methyl-2-nitro- 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 Benzofuran, 3-methyl-2-nitro-?
The CAS number of Benzofuran, 3-methyl-2-nitro- is 87977-35-3.
What is the molecular formula of Benzofuran, 3-methyl-2-nitro-?
The molecular formula of Benzofuran, 3-methyl-2-nitro- is C9H7NO3.
What is the molecular weight of Benzofuran, 3-methyl-2-nitro-?
The molecular weight of Benzofuran, 3-methyl-2-nitro- is 177.04 g/mol.
Where can I buy Benzofuran, 3-methyl-2-nitro-?
You can request a quote for Benzofuran, 3-methyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuran, 3-methyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzofuran, 3-methyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.