RefChem:408836
TL;DR: RefChem:408836 (CAS 71215-85-5) is a chemical compound with molecular formula C32H32N2O2 and molecular weight 476.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-butyl-2-methylindol-3-yl)-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-, 3-(1-Butyl-2-methylindol-3-yl)-3-(1-ethyl-2-methylindol-3-yl)-1(3H)-isobenzofuranone, 3-(1-Butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide, 3-(1-butyl-2-methylindol-3-yl)-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-
| Molecular Formula | C32H32N2O2 |
|---|---|
| Molecular Weight | 476.25 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.24637 |
| Heavy Atoms | 36 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 71215-85-5 |
|---|---|
| SMILES | CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CC)C)C |
| InChIKey | XIWUAIKWSZMVNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:408836 (CAS 71215-85-5), with molecular formula C32H32N2O2 and molecular weight 476.25 g/mol. IUPAC: 3-(1-butyl-2-methylindol-3-yl)-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one.
Chemical Property Profile of RefChem:408836
Property Insights of RefChem:408836
The XLogP value of 7.0 indicates that RefChem:408836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, RefChem:408836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:408836 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:408836?
The CAS number of RefChem:408836 is 71215-85-5.
What is the molecular formula of RefChem:408836?
The molecular formula of RefChem:408836 is C32H32N2O2.
What is the molecular weight of RefChem:408836?
The molecular weight of RefChem:408836 is 476.25 g/mol.
Where can I buy RefChem:408836?
You can request a quote for RefChem:408836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408836?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.