4'-Methylbenzo-18-crown-6
TL;DR: 4'-Methylbenzo-18-crown-6 (CAS 32702-28-6) is a chemical compound with molecular formula C17H26O6 and molecular weight 326.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-methyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Also Known As: Methylbenzo-18-crown-6, 4'-Methylbenzo-18-crown-6, ZHXFYTFNTXNQAV-UHFFFAOYSA-, 20-methyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene, 21-methyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
| Molecular Formula | C17H26O6 |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.17294 |
| Heavy Atoms | 23 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 32702-28-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2 |
| InChIKey | ZHXFYTFNTXNQAV-UHFFFAOYSA-N |
Product Overview
4'-Methylbenzo-18-crown-6 (CAS 32702-28-6), with molecular formula C17H26O6 and molecular weight 326.17 g/mol. IUPAC: 20-methyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene.
Chemical Property Profile of 4'-Methylbenzo-18-crown-6
Property Insights of 4'-Methylbenzo-18-crown-6
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylbenzo-18-crown-6. With a topological polar surface area (TPSA) of 55.4 Ų, 4'-Methylbenzo-18-crown-6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methylbenzo-18-crown-6 has 0 hydrogen bond donor(s) and 6 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 4'-Methylbenzo-18-crown-6?
The CAS number of 4'-Methylbenzo-18-crown-6 is 32702-28-6.
What is the molecular formula of 4'-Methylbenzo-18-crown-6?
The molecular formula of 4'-Methylbenzo-18-crown-6 is C17H26O6.
What is the molecular weight of 4'-Methylbenzo-18-crown-6?
The molecular weight of 4'-Methylbenzo-18-crown-6 is 326.17 g/mol.
Where can I buy 4'-Methylbenzo-18-crown-6?
You can request a quote for 4'-Methylbenzo-18-crown-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylbenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylbenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.