Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride
TL;DR: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride (CAS 70044-86-9) is a chemical compound with molecular formula C21H26ClNO4 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl] acetate;hydrochloride
Also Known As: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride, Phenethylamine, 3,4-diacetoxy-N-methyl-N-phenethyl-, hydrochloride, 1,2-Benzenediol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride, [2-acetyloxy-4-[2-[methyl(phenethyl)amino]ethyl]phenyl] acetate hydrochloride, 4-{2-[Methyl(2-phenylethyl)amino]ethyl}-1,2-phenylene diacetate--hydrogen chloride (1/1)
| Molecular Formula | C21H26ClNO4 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 3.676 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.15503 |
| Heavy Atoms | 27 |
| Complexity | 749.10175 |
Chemical Identifiers
| CAS Number | 70044-86-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)CCN(C)CCC2=CC=CC=C2)OC(=O)C.Cl |
Product Overview
Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride (CAS 70044-86-9), with molecular formula C21H26ClNO4 and molecular weight 391.16 g/mol. IUPAC: [2-acetyloxy-4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl] acetate;hydrochloride.
Chemical Property Profile of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride
Property Insights of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride
The XLogP value of 3.676 indicates that Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride has 0 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-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride?
The CAS number of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride is 70044-86-9.
What is the molecular formula of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride?
The molecular formula of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride is C21H26ClNO4.
What is the molecular weight of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride?
The molecular weight of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride is 391.16 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride?
You can request a quote for Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride 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-methylphenethylamino)ethyl)-, diacetate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, diacetate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.