(3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
TL;DR: (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS 85731-63-1) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-nitrosoindol-2-ol
Also Known As: 1-(2-chloroethyl)-3-hydroxyiminoindol-2-one, (3E)-1-(2-chloroethyl)-3-hydroxyiminoindol-2-one, (3Z)-1-(2-chloroethyl)-3-hydroxyiminoindol-2-one, (E)-1-(2-chloroethyl)-3-(hydroxyimino)indolin-2-one, (3Z)-1-(2-CHLOROETHYL)-3-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDOL-2-ONE
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 85731-63-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2CCCl)O)N=O |
| InChIKey | YQOOBGSJWHVCJF-UHFFFAOYSA-N |
Product Overview
(3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS 85731-63-1), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: 1-(2-chloroethyl)-3-nitrosoindol-2-ol.
Chemical Property Profile of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
Property Insights of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one. With a topological polar surface area (TPSA) of 54.6 Ų, (3E)-1-(2-chloroethyl)-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-(2-chloroethyl)-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-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is 85731-63-1.
What is the molecular formula of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is C10H9ClN2O2.
What is the molecular weight of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one is 224.04 g/mol.
Where can I buy (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3E)-1-(2-chloroethyl)-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-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.