RefChem:1061581
TL;DR: RefChem:1061581 (CAS 6514-55-2) is a chemical compound with molecular formula C21H25N5O8 and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide;2,4,6-trinitrophenol
Also Known As: N-(2-Diethylaminoacetyl)-1-indanamine picrate, 1-Indanamine, N-(2-diethylaminoacetyl)-, picrate, 1-Indanamine,N-(2-diethylaminoacetyl)-,picrate, Acetamide, 2-(diethylamino)-N-1-indanyl-, picrate, 2-(Diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)ethanimidic acid--2,4,6-trinitrophenol (1/1)
| Molecular Formula | C21H25N5O8 |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 3.25 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.17032 |
| Heavy Atoms | 34 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 6514-55-2 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1CCC2=CC=CC=C12.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PSJULGJIFUOQIS-UHFFFAOYSA-N |
Product Overview
RefChem:1061581 (CAS 6514-55-2), with molecular formula C21H25N5O8 and molecular weight 475.17 g/mol. IUPAC: 2-(diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide;2,4,6-trinitrophenol.
Chemical Property Profile of RefChem:1061581
Property Insights of RefChem:1061581
The XLogP value of 3.25 indicates that RefChem:1061581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting RefChem:1061581 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1061581 has 2 hydrogen bond donor(s) and 9 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 RefChem:1061581?
The CAS number of RefChem:1061581 is 6514-55-2.
What is the molecular formula of RefChem:1061581?
The molecular formula of RefChem:1061581 is C21H25N5O8.
What is the molecular weight of RefChem:1061581?
The molecular weight of RefChem:1061581 is 475.17 g/mol.
Where can I buy RefChem:1061581?
You can request a quote for RefChem:1061581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061581?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.