Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide
TL;DR: Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide (CAS 70044-80-3) is a chemical compound with molecular formula C20H24BrNO4 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[2-(2-phenylethylamino)ethyl]phenyl] acetate;hydrobromide
Also Known As: Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide, Phenethylamine, 3,4-diacetoxy-N-phenethyl-, hydrobromide, 1,2-Benzenediol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide, [2-acetyloxy-4-[2-(phenethylamino)ethyl]phenyl] acetate hydrobromide, 1,2-Benzenediol, 4-[2-[(2-phenylethyl)amino]ethyl]-, diacetate (ester), hydrobromide
| Molecular Formula | C20H24BrNO4 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 3.4899 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.08887 |
| Heavy Atoms | 26 |
| Complexity | 719.00604 |
Chemical Identifiers
| CAS Number | 70044-80-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)CCNCCC2=CC=CC=C2)OC(=O)C.Br |
Product Overview
Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide (CAS 70044-80-3), with molecular formula C20H24BrNO4 and molecular weight 421.09 g/mol. IUPAC: [2-acetyloxy-4-[2-(2-phenylethylamino)ethyl]phenyl] acetate;hydrobromide.
Chemical Property Profile of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide
Property Insights of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide
The XLogP value of 3.4899 indicates that Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide. Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide has 1 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 Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide?
The CAS number of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide is 70044-80-3.
What is the molecular formula of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide?
The molecular formula of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide is C20H24BrNO4.
What is the molecular weight of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide?
The molecular weight of Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide is 421.09 g/mol.
Where can I buy Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide?
You can request a quote for Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, 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-(phenethylamino)ethyl)-, diacetate, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.