1,3-Dioxepane, 2-(1-phenylethyl)-
TL;DR: 1,3-Dioxepane, 2-(1-phenylethyl)- (CAS 67845-49-2) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylethyl)-1,3-dioxepane
Also Known As: 1,3-Dioxepane, 2-(1-phenylethyl)-, 2-Benzyl-1,3-dioxepane, 2-(1-phenylethyl)-1,3-dioxepane, Isopropyl tri(6-hydroxycaproyl) titanate, Tris(6-hydroxyhexanoato-O1)(propan-2-olato)titanium
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 67845-49-2 |
|---|---|
| SMILES | CC(C1OCCCCO1)C2=CC=CC=C2 |
| InChIKey | GZYLDNAAZYAUQR-UHFFFAOYSA-N |
Product Overview
1,3-Dioxepane, 2-(1-phenylethyl)- (CAS 67845-49-2), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-(1-phenylethyl)-1,3-dioxepane.
Chemical Property Profile of 1,3-Dioxepane, 2-(1-phenylethyl)-
Property Insights of 1,3-Dioxepane, 2-(1-phenylethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxepane, 2-(1-phenylethyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxepane, 2-(1-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxepane, 2-(1-phenylethyl)- 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 1,3-Dioxepane, 2-(1-phenylethyl)-?
The CAS number of 1,3-Dioxepane, 2-(1-phenylethyl)- is 67845-49-2.
What is the molecular formula of 1,3-Dioxepane, 2-(1-phenylethyl)-?
The molecular formula of 1,3-Dioxepane, 2-(1-phenylethyl)- is C13H18O2.
What is the molecular weight of 1,3-Dioxepane, 2-(1-phenylethyl)-?
The molecular weight of 1,3-Dioxepane, 2-(1-phenylethyl)- is 206.13 g/mol.
Where can I buy 1,3-Dioxepane, 2-(1-phenylethyl)-?
You can request a quote for 1,3-Dioxepane, 2-(1-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxepane, 2-(1-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxepane, 2-(1-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.