(3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
TL;DR: (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS 85731-64-2) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobutyl)-3-nitrosoindol-2-ol
Also Known As: 1-(4-chlorobutyl)-3-hydroxyiminoindol-2-one, (3E)-1-(4-chlorobutyl)-3-hydroxyiminoindol-2-one, (3Z)-1-(4-chlorobutyl)-3-hydroxyiminoindol-2-one, (E)-1-(4-chlorobutyl)-3-(hydroxyimino)indolin-2-one, (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 3.7638 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 536.53033 |
Chemical Identifiers
| CAS Number | 85731-64-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2CCCCCl)O)N=O |
Product Overview
(3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS 85731-64-2), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 1-(4-chlorobutyl)-3-nitrosoindol-2-ol.
Chemical Property Profile of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
Property Insights of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
The XLogP value of 3.7638 indicates that (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.59 Ų, (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one has 1 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 (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is 85731-64-2.
What is the molecular formula of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is C12H13ClN2O2.
What is the molecular weight of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is 252.07 g/mol.
Where can I buy (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-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 (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-(4-chlorobutyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.