1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- (CAS 64179-19-7) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylamino)-3H-2-benzofuran-1-one
Also Known As: 3-(1,3-Benzodioxol-5-ylamino)-1(3H)-isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)phthalide, BAS 05896247, 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-, 3-(1,3-benzodioxol-5-ylamino)-3H-2-benzofuran-1-one
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 64179-19-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3 |
| InChIKey | JVFWIZULPZDEPG-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- (CAS 64179-19-7), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylamino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-
The XLogP value of 3.0 indicates that 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- has 1 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-ylamino)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- is 64179-19-7.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- is C15H11NO4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- is 269.07 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- 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-ylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.