Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)
TL;DR: Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) (CAS 70045-18-0) is a chemical compound with molecular formula C50H56N2O8 and molecular weight 812.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[2-[bis(2-phenylethyl)amino]ethyl]benzene-1,2-diol);oxalic acid
Also Known As: 4-(2-(N,N-Diphenethylamino)ethyl)pyrocatechol oxalate (2:1), Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1), 4-[2-(diphenethylamino)ethyl]benzene-1,2-diol; oxalic acid, Oxalic acid--4-{2-[bis(2-phenylethyl)amino]ethyl}benzene-1,2-diol (1/2), 1,2-Benzenediol, 4-[2-[bis(2-phenylethyl)amino]ethyl]-, ethanedioate (2:1) (salt)
| Molecular Formula | C50H56N2O8 |
|---|---|
| Molecular Weight | 812.40 g/mol |
| LogP | 8.011 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 812.4037 |
| Heavy Atoms | 60 |
| Complexity | 1893.393 |
Chemical Identifiers
| CAS Number | 70045-18-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)CCC3=CC(=C(C=C3)O)O.C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)CCC3=CC(=C(C=C3)O)O.C(=O)(C(=O)O)O |
Product Overview
Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) (CAS 70045-18-0), with molecular formula C50H56N2O8 and molecular weight 812.40 g/mol. IUPAC: bis(4-[2-[bis(2-phenylethyl)amino]ethyl]benzene-1,2-diol);oxalic acid.
Chemical Property Profile of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)
Property Insights of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)
The XLogP value of 8.011 indicates that Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)?
The CAS number of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) is 70045-18-0.
What is the molecular formula of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)?
The molecular formula of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) is C50H56N2O8.
What is the molecular weight of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)?
The molecular weight of Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) is 812.40 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)?
You can request a quote for Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) 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,N-diphenethylamino)ethyl)-, oxalate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.