2-(N-benzyl-2,4-dinitroanilino)ethanol
TL;DR: 2-(N-benzyl-2,4-dinitroanilino)ethanol (CAS 92853-00-4) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-benzyl-2,4-dinitroanilino)ethanol
Also Known As: 2-(N-benzyl-2,4-dinitroanilino)ethanol, BAS 01053626, 2-[{2,4-bisnitrophenyl}(phenylmethyl)amino]ethanol, 2-[Benzyl-(2,4-dinitro-phenyl)-amino]-ethanol, 2-[(2,4-dinitrophenyl)benzylamino]ethan-1-ol
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 2.5019 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 705.5135 |
Chemical Identifiers
| CAS Number | 92853-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCO)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(N-benzyl-2,4-dinitroanilino)ethanol (CAS 92853-00-4), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: 2-(N-benzyl-2,4-dinitroanilino)ethanol.
Chemical Property Profile of 2-(N-benzyl-2,4-dinitroanilino)ethanol
Property Insights of 2-(N-benzyl-2,4-dinitroanilino)ethanol
The XLogP value of 2.5019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N-benzyl-2,4-dinitroanilino)ethanol. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-benzyl-2,4-dinitroanilino)ethanol. Following Lipinski's Rule of Five, 2-(N-benzyl-2,4-dinitroanilino)ethanol has 1 hydrogen bond donor(s) and 6 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 2-(N-benzyl-2,4-dinitroanilino)ethanol?
The CAS number of 2-(N-benzyl-2,4-dinitroanilino)ethanol is 92853-00-4.
What is the molecular formula of 2-(N-benzyl-2,4-dinitroanilino)ethanol?
The molecular formula of 2-(N-benzyl-2,4-dinitroanilino)ethanol is C15H15N3O5.
What is the molecular weight of 2-(N-benzyl-2,4-dinitroanilino)ethanol?
The molecular weight of 2-(N-benzyl-2,4-dinitroanilino)ethanol is 317.10 g/mol.
Where can I buy 2-(N-benzyl-2,4-dinitroanilino)ethanol?
You can request a quote for 2-(N-benzyl-2,4-dinitroanilino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-benzyl-2,4-dinitroanilino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-benzyl-2,4-dinitroanilino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.