1,3-Dihydroisobenzofuran
TL;DR: 1,3-Dihydroisobenzofuran (CAS 496-14-0) is a chemical compound with molecular formula C8H8O and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydro-2-benzofuran
Also Known As: PHTHALAN, 1,3-Dihydroisobenzofuran, Isocoumaran, o-Xylylene oxide, 1,3-Dihydro-2-benzofuran
| Molecular Formula | C8H8O |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.05752 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
| Vapor Pressure | 0.74 [mmHg] |
Chemical Identifiers
| CAS Number | 496-14-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2CO1 |
| InChIKey | SFLGSKRGOWRGBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydroisobenzofuran (CAS 496-14-0), with molecular formula C8H8O and molecular weight 120.06 g/mol. IUPAC: 1,3-dihydro-2-benzofuran.
Chemical Property Profile of 1,3-Dihydroisobenzofuran
Property Insights of 1,3-Dihydroisobenzofuran
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydroisobenzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3-Dihydroisobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydroisobenzofuran has 0 hydrogen bond donor(s) and 1 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 1,3-Dihydroisobenzofuran?
The CAS number of 1,3-Dihydroisobenzofuran is 496-14-0.
What is the molecular formula of 1,3-Dihydroisobenzofuran?
The molecular formula of 1,3-Dihydroisobenzofuran is C8H8O.
What is the molecular weight of 1,3-Dihydroisobenzofuran?
The molecular weight of 1,3-Dihydroisobenzofuran is 120.06 g/mol.
Where can I buy 1,3-Dihydroisobenzofuran?
You can request a quote for 1,3-Dihydroisobenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydroisobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydroisobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.