3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline
TL;DR: 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline (CAS 51226-15-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline
Also Known As: 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline, [3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)phenyl]-amine, 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenylamine, A2708/0115256, 848-382-5
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 51226-15-4 |
|---|---|
| SMILES | CC1(C(OC(O1)C2=CC(=CC=C2)N)(C)C)C |
| InChIKey | LHQLVZPDWVBYBZ-UHFFFAOYSA-N |
Product Overview
3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline (CAS 51226-15-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline.
Chemical Property Profile of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline
Property Insights of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline. With a topological polar surface area (TPSA) of 44.5 Ų, 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline has 1 hydrogen bond donor(s) and 3 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 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline?
The CAS number of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline is 51226-15-4.
What is the molecular formula of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline?
The molecular formula of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline is C13H19NO2.
What is the molecular weight of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline?
The molecular weight of 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline is 221.14 g/mol.
Where can I buy 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline?
You can request a quote for 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.