1(3H)-Isobenzofuranone, 3-propoxy-
TL;DR: 1(3H)-Isobenzofuranone, 3-propoxy- (CAS 99865-51-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propoxy-3H-2-benzofuran-1-one
Also Known As: 3-propyloxyphthalide, 1(3H)-Isobenzofuranone, 3-propoxy-, 3-propoxy-3H-2-benzofuran-1-one, 3-Propoxyisobenzofuran-1(3H)-one, 3-propoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 346.1408 |
Chemical Identifiers
| CAS Number | 99865-51-7 |
|---|---|
| SMILES | CCCOC1C2=CC=CC=C2C(=O)O1 |
Product Overview
1(3H)-Isobenzofuranone, 3-propoxy- (CAS 99865-51-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 3-propoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-propoxy-
Property Insights of 1(3H)-Isobenzofuranone, 3-propoxy-
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-propoxy-. With a topological polar surface area (TPSA) of 35.53 Ų, 1(3H)-Isobenzofuranone, 3-propoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-propoxy- 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-propoxy-?
The CAS number of 1(3H)-Isobenzofuranone, 3-propoxy- is 99865-51-7.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-propoxy-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-propoxy- is C11H12O3.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-propoxy-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-propoxy- is 192.08 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-propoxy-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-propoxy- 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-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.