(1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine
TL;DR: (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine (CAS 6533-11-5) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3,3-trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine
Also Known As: (1,3,3-trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine, (1,3,3-trimethyl-2-methylidene-6-nitro-indol-5-yl)methanamine, 1-(1,3,3-Trimethyl-2-methylidene-6-nitro-2,3-dihydro-1H-indol-5-yl)methanamine
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 2.2946 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 549.4125 |
Chemical Identifiers
| CAS Number | 6533-11-5 |
|---|---|
| SMILES | CC1(C(=C)N(C2=C1C=C(C(=C2)[N+](=O)[O-])CN)C)C |
Product Overview
(1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine (CAS 6533-11-5), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: (1,3,3-trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine.
Chemical Property Profile of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine
Property Insights of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine
The XLogP value of 2.2946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine. Following Lipinski's Rule of Five, (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine has 1 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 (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine?
The CAS number of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine is 6533-11-5.
What is the molecular formula of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine?
The molecular formula of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine is C13H17N3O2.
What is the molecular weight of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine?
The molecular weight of (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine is 247.13 g/mol.
Where can I buy (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine?
You can request a quote for (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for (1,3,3-Trimethyl-2-methylidene-6-nitroindol-5-yl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.