N-2-Nitrobenzylphenylephrine
TL;DR: N-2-Nitrobenzylphenylephrine (CAS 17792-05-1) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-hydroxy-2-[methyl-[(2-nitrophenyl)methyl]amino]ethyl]phenol
Also Known As: Caged phenylephrine, Caged-PE, N-2-Nitrobenzylphenylephrine, 3-[1-hydroxy-2-[methyl-[(2-nitrophenyl)methyl]amino]ethyl]phenol, 3-{1-hydroxy-2-[methyl(2-nitrobenzyl)amino]ethyl}phenol
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 17792-05-1 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1[N+](=O)[O-])CC(C2=CC(=CC=C2)O)O |
| InChIKey | FTHNMXWULMHUGX-UHFFFAOYSA-N |
Product Overview
N-2-Nitrobenzylphenylephrine (CAS 17792-05-1), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 3-[1-hydroxy-2-[methyl-[(2-nitrophenyl)methyl]amino]ethyl]phenol.
Chemical Property Profile of N-2-Nitrobenzylphenylephrine
Property Insights of N-2-Nitrobenzylphenylephrine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-Nitrobenzylphenylephrine. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-2-Nitrobenzylphenylephrine. Following Lipinski's Rule of Five, N-2-Nitrobenzylphenylephrine has 2 hydrogen bond donor(s) and 5 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-2-Nitrobenzylphenylephrine?
The CAS number of N-2-Nitrobenzylphenylephrine is 17792-05-1.
What is the molecular formula of N-2-Nitrobenzylphenylephrine?
The molecular formula of N-2-Nitrobenzylphenylephrine is C16H18N2O4.
What is the molecular weight of N-2-Nitrobenzylphenylephrine?
The molecular weight of N-2-Nitrobenzylphenylephrine is 302.13 g/mol.
Where can I buy N-2-Nitrobenzylphenylephrine?
You can request a quote for N-2-Nitrobenzylphenylephrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-Nitrobenzylphenylephrine?
Yes, KEHONG BIO provides custom synthesis services for N-2-Nitrobenzylphenylephrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.