1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- (CAS 64179-29-9) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1,3-benzodioxol-5-yl(ethyl)amino]-3H-2-benzofuran-1-one
Also Known As: 3-(1,3-Benzodioxol-5-ylethylamino)-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-, 3-[1,3-benzodioxol-5-yl(ethyl)amino]-3H-2-benzofuran-1-one, 3-[(2H-1,3-Benzodioxol-5-yl)(ethyl)amino]-2-benzofuran-1(3H)-one, RefChem:211706
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.1108 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 743.18884 |
Chemical Identifiers
| CAS Number | 64179-29-9 |
|---|---|
| SMILES | CCN(C1C2=CC=CC=C2C(=O)O1)C3=CC4=C(C=C3)OCO4 |
Product Overview
1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- (CAS 64179-29-9), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: 3-[1,3-benzodioxol-5-yl(ethyl)amino]-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-
The XLogP value of 3.1108 indicates that 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- has 0 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 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- is 64179-29-9.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- is C17H15NO4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- is 297.10 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.