1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate
TL;DR: 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate (CAS 63868-69-9) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylethanamine;oxalic acid
Also Known As: 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate, Phthalan, 3,3-dimethyl-1-(2-methylaminoethyl)-1-phenyl-, oxalate, Oxalic acid--2-(3,3-dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)-N-methylethan-1-amine (1/1), 1-Isobenzofuranethanamine, 1,3-dihydro-N,3,3-trimethyl-1-phenyl-, ethanedioate (1:1), 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylethanamine; oxalic acid
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 2.9606 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 791.22906 |
Chemical Identifiers
| CAS Number | 63868-69-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCNC)C3=CC=CC=C3)C.C(=O)(C(=O)O)O |
Product Overview
1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate (CAS 63868-69-9), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylethanamine;oxalic acid.
Chemical Property Profile of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate
Property Insights of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate
The XLogP value of 2.9606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate. Following Lipinski's Rule of Five, 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate has 3 hydrogen bond donor(s) and 4 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 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate?
The CAS number of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate is 63868-69-9.
What is the molecular formula of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate?
The molecular formula of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate is C21H25NO5.
What is the molecular weight of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate?
The molecular weight of 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate is 371.17 g/mol.
Where can I buy 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate?
You can request a quote for 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phthalanethylamine, 1-phenyl-N,3,3-trimethyl-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.