N(1)-nitroso-3-nitromethylindole
TL;DR: N(1)-nitroso-3-nitromethylindole (CAS 6312-05-6) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(nitromethyl)-1-nitrosoindole
Also Known As: NNNMI, N(1)-Nitroso-3-nitromethylindole, 3-(Nitromethyl)-1-nitroso-1H-indole, 3-(nitromethyl)-1-nitrosoindole, N-nitroso-3-nitromethylindole
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 6312-05-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2N=O)C[N+](=O)[O-] |
| InChIKey | YSDDQRUOEFOQBD-UHFFFAOYSA-N |
Product Overview
N(1)-nitroso-3-nitromethylindole (CAS 6312-05-6), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 3-(nitromethyl)-1-nitrosoindole.
Chemical Property Profile of N(1)-nitroso-3-nitromethylindole
Property Insights of N(1)-nitroso-3-nitromethylindole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(1)-nitroso-3-nitromethylindole. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N(1)-nitroso-3-nitromethylindole. Following Lipinski's Rule of Five, N(1)-nitroso-3-nitromethylindole has 0 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 N(1)-nitroso-3-nitromethylindole?
The CAS number of N(1)-nitroso-3-nitromethylindole is 6312-05-6.
What is the molecular formula of N(1)-nitroso-3-nitromethylindole?
The molecular formula of N(1)-nitroso-3-nitromethylindole is C9H7N3O3.
What is the molecular weight of N(1)-nitroso-3-nitromethylindole?
The molecular weight of N(1)-nitroso-3-nitromethylindole is 205.05 g/mol.
Where can I buy N(1)-nitroso-3-nitromethylindole?
You can request a quote for N(1)-nitroso-3-nitromethylindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1)-nitroso-3-nitromethylindole?
Yes, KEHONG BIO provides custom synthesis services for N(1)-nitroso-3-nitromethylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.