pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)
TL;DR: pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) (CAS 70045-05-5) is a chemical compound with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol
Also Known As: Phenethylamine, 3,4-dihydroxy-N-(p-nitrophenethyl)-N-propyl-, acetate, Pyrocatechol, 4-(2-(p-nitro-N-propylphenethylamino)ethyl)-, monoacetate (salt), 1,2-Benzenediol, 4-[2-[[2-(4-nitrophenyl)ethyl]propylamino]ethyl]-, monoacetate (salt), Acetic acid--4-(2-{[2-(4-nitrophenyl)ethyl](propyl)amino}ethyl)benzene-1,2-diol (1/1), acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol
| Molecular Formula | C21H28N2O6 |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 3.5941 |
| Topological Polar Surface Area | 124.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.19473 |
| Heavy Atoms | 29 |
| Complexity | 788.25836 |
Chemical Identifiers
| CAS Number | 70045-05-5 |
|---|---|
| SMILES | CCCN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCC2=CC(=C(C=C2)O)O.CC(=O)O |
Product Overview
pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) (CAS 70045-05-5), with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol. IUPAC: acetic acid;4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol.
Chemical Property Profile of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)
Property Insights of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)
The XLogP value of 3.5941 indicates that pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.14 Ų falls within the moderate polarity range, balancing permeability and solubility for pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt). Following Lipinski's Rule of Five, pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) has 3 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 pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)?
The CAS number of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) is 70045-05-5.
What is the molecular formula of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)?
The molecular formula of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) is C21H28N2O6.
What is the molecular weight of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)?
The molecular weight of pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) is 404.19 g/mol.
Where can I buy pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)?
You can request a quote for pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt)?
Yes, KEHONG BIO provides custom synthesis services for pyrocatechol, 4-(2-(p-nitro-n-propylphenethylamino)ethyl)-, monoacetate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.