3-(4-NITROPHENYL)BENZYL ALCOHOL
TL;DR: 3-(4-NITROPHENYL)BENZYL ALCOHOL (CAS 606486-39-9) is a chemical compound with molecular formula C22H20BrN5O5 and molecular weight 513.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-nitrobenzoate
Also Known As: 3-(4-NITROPHENYL)BENZYL ALCOHOL, [2-[N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-nitrobenzoate
| Molecular Formula | C22H20BrN5O5 |
|---|---|
| Molecular Weight | 513.06 g/mol |
| LogP | 3.93024 |
| Topological Polar Surface Area | 128.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.06476 |
| Heavy Atoms | 33 |
| Complexity | 1250.5625 |
Chemical Identifiers
| CAS Number | 606486-39-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NN=C(C)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)Br |
Product Overview
3-(4-NITROPHENYL)BENZYL ALCOHOL (CAS 606486-39-9), with molecular formula C22H20BrN5O5 and molecular weight 513.06 g/mol. IUPAC: [2-[N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-nitrobenzoate.
Chemical Property Profile of 3-(4-NITROPHENYL)BENZYL ALCOHOL
Property Insights of 3-(4-NITROPHENYL)BENZYL ALCOHOL
The XLogP value of 3.93024 indicates that 3-(4-NITROPHENYL)BENZYL ALCOHOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-NITROPHENYL)BENZYL ALCOHOL. Following Lipinski's Rule of Five, 3-(4-NITROPHENYL)BENZYL ALCOHOL has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-NITROPHENYL)BENZYL ALCOHOL?
The CAS number of 3-(4-NITROPHENYL)BENZYL ALCOHOL is 606486-39-9.
What is the molecular formula of 3-(4-NITROPHENYL)BENZYL ALCOHOL?
The molecular formula of 3-(4-NITROPHENYL)BENZYL ALCOHOL is C22H20BrN5O5.
What is the molecular weight of 3-(4-NITROPHENYL)BENZYL ALCOHOL?
The molecular weight of 3-(4-NITROPHENYL)BENZYL ALCOHOL is 513.06 g/mol.
Where can I buy 3-(4-NITROPHENYL)BENZYL ALCOHOL?
You can request a quote for 3-(4-NITROPHENYL)BENZYL ALCOHOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-NITROPHENYL)BENZYL ALCOHOL?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-NITROPHENYL)BENZYL ALCOHOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.