3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one
TL;DR: 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one (CAS 5964-06-7) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,4-benzodioxin-3-one
Also Known As: starbld0035898, 2-methyl-1,4-benzodioxin-3-one, 3-methyl-2,3-dihydro-1,4-benzodioxin-2-one, 3-Methylbenzo[b][1,4]dioxin-2(3H)-one, F0451-0560
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.3729 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 319.30463 |
Chemical Identifiers
| CAS Number | 5964-06-7 |
|---|---|
| SMILES | CC1C(=O)OC2=CC=CC=C2O1 |
Product Overview
3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one (CAS 5964-06-7), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 2-methyl-1,4-benzodioxin-3-one.
Chemical Property Profile of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one
Property Insights of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one
The XLogP value of 1.3729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one. With a topological polar surface area (TPSA) of 35.53 Ų, 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one 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 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one?
The CAS number of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one is 5964-06-7.
What is the molecular formula of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one?
The molecular formula of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one is C9H8O3.
What is the molecular weight of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one?
The molecular weight of 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one is 164.05 g/mol.
Where can I buy 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one?
You can request a quote for 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,3-dihydro-1,4-benzodioxin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.