1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine
TL;DR: 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine (CAS 866151-78-2) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2,4-trimethyl-7-nitro-3H-1-benzofuran-3-yl)pyrrolidine
Also Known As: 1-(2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine, 1-(2,2,4-trimethyl-7-nitro-3H-1-benzofuran-3-yl)pyrrolidine, 1-(2,2,4-trimethyl-7-nitro-3H-benzofuran-3-yl)pyrrolidine, Pyrrolidine, 1-(2,3-dihydro-2,2,4-trimethyl-7-nitro-3-benzofuranyl)-
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 3.21112 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 562.4822 |
Chemical Identifiers
| CAS Number | 866151-78-2 |
|---|---|
| SMILES | CC1=C2C(C(OC2=C(C=C1)[N+](=O)[O-])(C)C)N3CCCC3 |
Product Overview
1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine (CAS 866151-78-2), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: 1-(2,2,4-trimethyl-7-nitro-3H-1-benzofuran-3-yl)pyrrolidine.
Chemical Property Profile of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine
Property Insights of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine
The XLogP value of 3.21112 indicates that 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine 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 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine?
The CAS number of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine is 866151-78-2.
What is the molecular formula of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine?
The molecular formula of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine is C15H20N2O3.
What is the molecular weight of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine?
The molecular weight of 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine is 276.15 g/mol.
Where can I buy 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine?
You can request a quote for 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2,4-Trimethyl-7-nitro-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.