3-(1,3-Dioxolan-2-yl)aniline
TL;DR: 3-(1,3-Dioxolan-2-yl)aniline (CAS 6398-87-4) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxolan-2-yl)aniline
Also Known As: 3-(1,3-dioxolan-2-yl)aniline, null, L-cystathionine, 3-AMINOBENZALDEHYDE ETHYLENE ACETAL, zlchem 897
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.3142 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 268.98596 |
Chemical Identifiers
| CAS Number | 6398-87-4 |
|---|---|
| SMILES | C1COC(O1)C2=CC(=CC=C2)N |
Product Overview
3-(1,3-Dioxolan-2-yl)aniline (CAS 6398-87-4), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 3-(1,3-dioxolan-2-yl)aniline.
Chemical Property Profile of 3-(1,3-Dioxolan-2-yl)aniline
Property Insights of 3-(1,3-Dioxolan-2-yl)aniline
The XLogP value of 1.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Dioxolan-2-yl)aniline. With a topological polar surface area (TPSA) of 44.48 Ų, 3-(1,3-Dioxolan-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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-(1,3-Dioxolan-2-yl)aniline?
The CAS number of 3-(1,3-Dioxolan-2-yl)aniline is 6398-87-4.
What is the molecular formula of 3-(1,3-Dioxolan-2-yl)aniline?
The molecular formula of 3-(1,3-Dioxolan-2-yl)aniline is C9H11NO2.
What is the molecular weight of 3-(1,3-Dioxolan-2-yl)aniline?
The molecular weight of 3-(1,3-Dioxolan-2-yl)aniline is 165.08 g/mol.
Where can I buy 3-(1,3-Dioxolan-2-yl)aniline?
You can request a quote for 3-(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-(1,3-Dioxolan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dioxolan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.