n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine
TL;DR: n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine (CAS 5145-86-8) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-(2-methyl-5-nitro-1H-indol-3-yl)methanamine
Also Known As: n,n-dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine, dimethyl-(2-methyl-5-nitro-indol-3-ylmethyl)-amine, 2, N,N-trimethyl-5-nitro-1H-indole-3-methanamine, 2-methyl-5-nitro-furan-3-carboxylic acid ethyl ester
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5145-86-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CN(C)C |
| InChIKey | KFJWUQVRJLJPGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine (CAS 5145-86-8), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: N,N-dimethyl-1-(2-methyl-5-nitro-1H-indol-3-yl)methanamine.
Chemical Property Profile of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine
Property Insights of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine. Following Lipinski's Rule of Five, n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine 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 n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine?
The CAS number of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine is 5145-86-8.
What is the molecular formula of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine?
The molecular formula of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine is C12H15N3O2.
What is the molecular weight of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine?
The molecular weight of n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine is 233.12 g/mol.
Where can I buy n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine?
You can request a quote for n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for n,n-Dimethyl-1-(2-methyl-5-nitro-1h-indol-3-yl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.