3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one
TL;DR: 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one (CAS 866152-45-6) is a chemical compound with molecular formula C17H12Cl2N2O5 and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-[(3,4-dichlorophenyl)methyl]-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
Also Known As: 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one, 1'-[(3,4-dichlorophenyl)methyl]-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one, 1'-[(3,4-dichlorophenyl)methyl]-5'-nitro-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-2'-one
| Molecular Formula | C17H12Cl2N2O5 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 3.648 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.01233 |
| Heavy Atoms | 26 |
| Complexity | 927.3644 |
Chemical Identifiers
| CAS Number | 866152-45-6 |
|---|---|
| SMILES | C1COC2(O1)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CC4=CC(=C(C=C4)Cl)Cl |
Product Overview
3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one (CAS 866152-45-6), with molecular formula C17H12Cl2N2O5 and molecular weight 394.01 g/mol. IUPAC: 1'-[(3,4-dichlorophenyl)methyl]-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one.
Chemical Property Profile of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one
Property Insights of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one
The XLogP value of 3.648 indicates that 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one has 0 hydrogen bond donor(s) and 5 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-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one is 866152-45-6.
What is the molecular formula of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one is C17H12Cl2N2O5.
What is the molecular weight of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one is 394.01 g/mol.
Where can I buy 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1',3'-dioxolynyl)-1-(3,4-dichlorobenzyl)-5-nitro-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.