3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one
TL;DR: 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one (CAS 103467-08-9) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1,4-benzodioxin-2-one
Also Known As: 3,3-dimethyl-2,3-dihydro-1,4-benzodioxin-2-one, 3,3-dimethyl-1,4-benzodioxin-2-one, 3,3-Dimethyl-benzo[1,4]dioxin-2-one, BAS 00134159, 3,3-DIMETHYL-1,4-BENZODIOXIN-2(3H)-ONE
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.763 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 354.9424 |
Chemical Identifiers
| CAS Number | 103467-08-9 |
|---|---|
| SMILES | CC1(C(=O)OC2=CC=CC=C2O1)C |
Product Overview
3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one (CAS 103467-08-9), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3,3-dimethyl-1,4-benzodioxin-2-one.
Chemical Property Profile of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one
Property Insights of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one
The XLogP value of 1.763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one. With a topological polar surface area (TPSA) of 35.53 Ų, 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-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 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one?
The CAS number of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one is 103467-08-9.
What is the molecular formula of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one?
The molecular formula of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one is C10H10O3.
What is the molecular weight of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one?
The molecular weight of 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one is 178.06 g/mol.
Where can I buy 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one?
You can request a quote for 3,3-Dimethyl-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 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2,3-dihydro-1,4-benzodioxin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.