Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)
TL;DR: Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) (CAS 70045-15-7) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[benzyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol;oxalic acid
Also Known As: 4-(2-(N-Benzylphenethylamino)ethyl)pyrocatechol oxalate (1:1), Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1), 4-(2-(N-BENZYLPHENETHYLAMINO)ETHYL)PYROCATECHOL OXALATE, 4-[2-[benzyl(phenethyl)amino]ethyl]benzene-1,2-diol; oxalic acid, 4-[2-[benzyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol,oxalic acid
| Molecular Formula | C25H27NO6 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 3.5408 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.18384 |
| Heavy Atoms | 32 |
| Complexity | 979.8287 |
Chemical Identifiers
| CAS Number | 70045-15-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CCC2=CC(=C(C=C2)O)O)CC3=CC=CC=C3.C(=O)(C(=O)O)O |
Product Overview
Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) (CAS 70045-15-7), with molecular formula C25H27NO6 and molecular weight 437.18 g/mol. IUPAC: 4-[2-[benzyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol;oxalic acid.
Chemical Property Profile of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)
Property Insights of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)
The XLogP value of 3.5408 indicates that Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1). Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) has 4 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-benzylphenethylamino)ethyl)-, oxalate (1:1)?
The CAS number of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) is 70045-15-7.
What is the molecular formula of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)?
The molecular formula of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) is C25H27NO6.
What is the molecular weight of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)?
The molecular weight of Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) is 437.18 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1)?
You can request a quote for Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) 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-benzylphenethylamino)ethyl)-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N-benzylphenethylamino)ethyl)-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.