1-Nitrosoindole-3-acetonitrile
TL;DR: 1-Nitrosoindole-3-acetonitrile (CAS 97672-08-7) is a chemical compound with molecular formula C10H7N3O and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-nitrosoindol-3-yl)acetonitrile
Also Known As: 1-Nitrosoindole-3-acetonitrile, NIAN, Nitrosated indole-3-acetonitrile, 2-(1-nitrosoindol-3-yl)acetonitrile, 1H-INDOLE-3-ACETONITRILE, 1-NITROSO-
| Molecular Formula | C10H7N3O |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.05891 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 97672-08-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2N=O)CC#N |
| InChIKey | UOOUHGJOQYHONI-UHFFFAOYSA-N |
Product Overview
1-Nitrosoindole-3-acetonitrile (CAS 97672-08-7), with molecular formula C10H7N3O and molecular weight 185.06 g/mol. IUPAC: 2-(1-nitrosoindol-3-yl)acetonitrile.
Chemical Property Profile of 1-Nitrosoindole-3-acetonitrile
Property Insights of 1-Nitrosoindole-3-acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitrosoindole-3-acetonitrile. With a topological polar surface area (TPSA) of 58.2 Ų, 1-Nitrosoindole-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitrosoindole-3-acetonitrile has 0 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 1-Nitrosoindole-3-acetonitrile?
The CAS number of 1-Nitrosoindole-3-acetonitrile is 97672-08-7.
What is the molecular formula of 1-Nitrosoindole-3-acetonitrile?
The molecular formula of 1-Nitrosoindole-3-acetonitrile is C10H7N3O.
What is the molecular weight of 1-Nitrosoindole-3-acetonitrile?
The molecular weight of 1-Nitrosoindole-3-acetonitrile is 185.06 g/mol.
Where can I buy 1-Nitrosoindole-3-acetonitrile?
You can request a quote for 1-Nitrosoindole-3-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrosoindole-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrosoindole-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.