3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one
TL;DR: 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one (CAS 91192-43-7) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-(nitromethyl)-1H-indol-2-one
Also Known As: 3-hydroxy-3-(nitromethyl)indolin-2-one, 3-hydroxy-3-(nitromethyl)-1H-indol-2-one, 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one, 3-Hydroxy-3-(nitromethyl)indoline-2-one, J2.596.291E
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 91192-43-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=O)N2)(C[N+](=O)[O-])O |
| InChIKey | LXHQTPGTMXKWEY-UHFFFAOYSA-N |
Product Overview
3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one (CAS 91192-43-7), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 3-hydroxy-3-(nitromethyl)-1H-indol-2-one.
Chemical Property Profile of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one
Property Insights of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one has 2 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 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one is 91192-43-7.
What is the molecular formula of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one is C9H8N2O4.
What is the molecular weight of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one is 208.05 g/mol.
Where can I buy 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-hydroxy-3-(nitromethyl)-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-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.