Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide
TL;DR: Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide (CAS 70045-12-4) is a chemical compound with molecular formula C20H28BrNO2 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[butyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol;hydrobromide
Also Known As: 4-(2-(N-Butylphenethylamino)ethyl)pyrocatechol hydrobromide, Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide, 4-[2-[butyl(phenethyl)amino]ethyl]benzene-1,2-diol hydrobromide, 1,2-Benzenediol, 4-[2-[butyl(2-phenylethyl)amino]ethyl]-, hydrobromide, 4-{2-[Butyl(2-phenylethyl)amino]ethyl}benzene-1,2-diol--hydrogen bromide (1/1)
| Molecular Formula | C20H28BrNO2 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 4.563 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.13034 |
| Heavy Atoms | 24 |
| Complexity | 589.44763 |
Chemical Identifiers
| CAS Number | 70045-12-4 |
|---|---|
| SMILES | CCCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.Br |
Product Overview
Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide (CAS 70045-12-4), with molecular formula C20H28BrNO2 and molecular weight 393.13 g/mol. IUPAC: 4-[2-[butyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol;hydrobromide.
Chemical Property Profile of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide
Property Insights of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide
The XLogP value of 4.563 indicates that Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide has 2 hydrogen bond donor(s) and 3 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-(N-butylphenethylamino)ethyl)-, hydrobromide?
The CAS number of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide is 70045-12-4.
What is the molecular formula of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide?
The molecular formula of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide is C20H28BrNO2.
What is the molecular weight of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide?
The molecular weight of Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide is 393.13 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide?
You can request a quote for Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide 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-(N-butylphenethylamino)ethyl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N-butylphenethylamino)ethyl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.