1,1,3,3,6-五甲基-7-硝基-5-茚胺
TL;DR: 1,1,3,3,6-五甲基-7-硝基-5-茚胺 (CAS 255394-15-1) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3,3,6-五甲基-7-硝基-5-茚胺
1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-amine
Also Known As: 1,1,3,3,6-pentamethyl-7-nitro-5-indanamine, isobornylthiocyanoacetate, 1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-amine, 1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-amine, KST-1B2926
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 255394-15-1 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)N |
| InChIKey | GNEPLYVYORHREW-UHFFFAOYSA-N |
Product Overview
1,1,3,3,6-五甲基-7-硝基-5-茚胺 (CAS 255394-15-1), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-amine.
Chemical Property Profile of 1,1,3,3,6-五甲基-7-硝基-5-茚胺
Property Insights of 1,1,3,3,6-五甲基-7-硝基-5-茚胺
The XLogP value of 4.0 indicates that 1,1,3,3,6-五甲基-7-硝基-5-茚胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,3,3,6-五甲基-7-硝基-5-茚胺. Following Lipinski's Rule of Five, 1,1,3,3,6-五甲基-7-硝基-5-茚胺 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 1,1,3,3,6-五甲基-7-硝基-5-茚胺?
The CAS number of 1,1,3,3,6-五甲基-7-硝基-5-茚胺 is 255394-15-1.
What is the molecular formula of 1,1,3,3,6-五甲基-7-硝基-5-茚胺?
The molecular formula of 1,1,3,3,6-五甲基-7-硝基-5-茚胺 is C14H20N2O2.
What is the molecular weight of 1,1,3,3,6-五甲基-7-硝基-5-茚胺?
The molecular weight of 1,1,3,3,6-五甲基-7-硝基-5-茚胺 is 248.15 g/mol.
Where can I buy 1,1,3,3,6-五甲基-7-硝基-5-茚胺?
You can request a quote for 1,1,3,3,6-五甲基-7-硝基-5-茚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3,3,6-五甲基-7-硝基-5-茚胺?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3,3,6-五甲基-7-硝基-5-茚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.