1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- (CAS 61133-38-8) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynoxy-3H-2-benzofuran-1-one
Also Known As: 3-prop-2-ynoxy-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-, 3-(2-Propynyloxy)-2-benzofuran-1(3h)-one, 3-[(Prop-2-yn-1-yl)oxy]-2-benzofuran-1(3H)-one
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 61133-38-8 |
|---|---|
| SMILES | C#CCOC1C2=CC=CC=C2C(=O)O1 |
| InChIKey | IUSUHIUAFDBTHY-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- (CAS 61133-38-8), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 3-prop-2-ynoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-. With a topological polar surface area (TPSA) of 35.5 Ų, 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- has 0 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 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- is 61133-38-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- is C11H8O3.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- is 188.05 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- 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-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.