![4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine structure](/static/products/1174/117401-33-9.webp)
4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine
TL;DR: 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine (CAS 117401-33-9) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yloxy)aniline
Also Known As: 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine, 4-(1,3-benzodioxol-5-yloxy)aniline, 4-(Benzo[d][1,3]dioxol-5-yloxy)aniline, TIMTEC-BB SBB011590, [4-(1,3-benzodioxol-5-yloxy)phenyl]amine
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.7898 |
| Topological Polar Surface Area | 53.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 536.8609 |
Chemical Identifiers
| CAS Number | 117401-33-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OC3=CC=C(C=C3)N |
Product Overview
4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine (CAS 117401-33-9), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yloxy)aniline.
Chemical Property Profile of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine
Property Insights of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine
The XLogP value of 2.7898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine. With a topological polar surface area (TPSA) of 53.71 Ų, 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine has 1 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 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine?
The CAS number of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine is 117401-33-9.
What is the molecular formula of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine?
The molecular formula of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine is C13H11NO3.
What is the molecular weight of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine?
The molecular weight of 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine is 229.07 g/mol.
Where can I buy 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine?
You can request a quote for 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzo[1,3]dioxol-5-yloxy)-phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.