![[1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- structure](/static/products/6902/69022-74-8.webp)
[1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-
TL;DR: [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- (CAS 69022-74-8) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,8-trimethyl-9-prop-2-ynoxy-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridine
Also Known As: [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-|1,5-Dihydro-3,3,8-trimethyl-9-(2-propynyloxy)[1,3]dioxepino[5,6-c]pyridine|3,3,8-Trimethyl-9-(2-propynyl)oxy-3H-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridine|3,3,8-Trimethyl-9-(2-propynyloxy)-1,5-dihydro[1,3]dioxepino[5,6-c]pyridine #|3,3,8-trimethyl-9-(prop-2-yn-1-yloxy)-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridine|3,3,8-Trimethyl-9-[(prop-2-yn-1-yl)oxy]-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridine|3,3,8-trimethyl-9-prop-2-ynoxy-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridine|ABYRQPTWKRKTOZ-UHFFFAOYSA-N
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 69022-74-8 |
|---|---|
| SMILES | CC1=NC=C2COC(OCC2=C1OCC#C)(C)C |
| InChIKey | ABYRQPTWKRKTOZ-UHFFFAOYSA-N |
Product Overview
[1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- (CAS 69022-74-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 3,3,8-trimethyl-9-prop-2-ynoxy-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridine.
Chemical Property Profile of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-
Property Insights of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-. With a topological polar surface area (TPSA) of 40.6 Ų, [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- has 0 hydrogen bond donor(s) and 4 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]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-?
The CAS number of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- is 69022-74-8.
What is the molecular formula of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-?
The molecular formula of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- is C14H17NO3.
What is the molecular weight of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-?
The molecular weight of [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- is 247.12 g/mol.
Where can I buy [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-?
You can request a quote for [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for [1,3]Dioxepino[5,6-c]pyridine, 1,5-dihydro-3,3,8-trimethyl-9-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.