5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-
TL;DR: 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- (CAS 38653-36-0) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3,5-dihydro-2H-1,4-dioxepine
Also Known As: 5-methyl-3,5-dihydro-2H-1,4-dioxepine, 5-Methyl-2,3-dihydro-5H-1,4-dioxepine, 5-methyl-2,3-dihydro-5H-[1,4]dioxepine, 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-, 2,3-Dihydro-5-methyl-5H-1,4-dioxepin
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 38653-36-0 |
|---|---|
| SMILES | CC1C=COCCO1 |
| InChIKey | HQNSTVIZWLNAOW-UHFFFAOYSA-N |
Product Overview
5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- (CAS 38653-36-0), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 5-methyl-3,5-dihydro-2H-1,4-dioxepine.
Chemical Property Profile of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-
Property Insights of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- has 0 hydrogen bond donor(s) and 2 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 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-?
The CAS number of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- is 38653-36-0.
What is the molecular formula of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-?
The molecular formula of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- is C6H10O2.
What is the molecular weight of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-?
The molecular weight of 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- is 114.07 g/mol.
Where can I buy 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-?
You can request a quote for 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,4-Dioxepin, 2,3-dihydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.