2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate
TL;DR: 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate (CAS 21312-16-3) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline
Also Known As: N-(4-(1-Pyrrolidinyl)-butyl)-2-phenylaniline oxalate, 2-BIPHENYLAMINE, N-(4-(1-PYRROLIDINYL)BUTYL)-, OXALATE, 2-hydroxy-2-oxoacetate; 2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline, 1-{4-[([1,1'-Biphenyl]-2-yl)amino]butyl}pyrrolidin-1-ium hydrogen ethanedioate, RefChem:256656
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 21312-16-3 |
|---|---|
| SMILES | C1CC[NH+](C1)CCCCNC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)[O-])O |
| InChIKey | UDLHCPNEXFUCMM-UHFFFAOYSA-N |
Product Overview
2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate (CAS 21312-16-3), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline.
Chemical Property Profile of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate
Property Insights of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate. Following Lipinski's Rule of Five, 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate has 3 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 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate?
The CAS number of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate is 21312-16-3.
What is the molecular formula of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate?
The molecular formula of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate is C22H28N2O4.
What is the molecular weight of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate?
The molecular weight of 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate is 384.20 g/mol.
Where can I buy 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate?
You can request a quote for 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Biphenylamine, N-(4-(1-pyrrolidinyl)butyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.