4'-Aminobenzo-18-crown-6
TL;DR: 4'-Aminobenzo-18-crown-6 (CAS 68941-06-0) is a chemical compound with molecular formula C16H25NO6 and molecular weight 327.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
Also Known As: 4'-Aminobenzo-18-crown-6, (Benzo-18-crown-6)-4'-ylamine, 4-aminobenzo-18-crown-6, 4?-Aminobenzo-18-crown-6, 4 -Aminobenzo-18-crown-6
| Molecular Formula | C16H25NO6 |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 1.1064 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.16818 |
| Heavy Atoms | 23 |
| Complexity | 442.57867 |
Chemical Identifiers
| CAS Number | 68941-06-0 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1 |
Product Overview
4'-Aminobenzo-18-crown-6 (CAS 68941-06-0), with molecular formula C16H25NO6 and molecular weight 327.17 g/mol. IUPAC: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine.
Chemical Property Profile of 4'-Aminobenzo-18-crown-6
Property Insights of 4'-Aminobenzo-18-crown-6
The XLogP value of 1.1064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Aminobenzo-18-crown-6. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Aminobenzo-18-crown-6. Following Lipinski's Rule of Five, 4'-Aminobenzo-18-crown-6 has 1 hydrogen bond donor(s) and 7 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'-Aminobenzo-18-crown-6?
The CAS number of 4'-Aminobenzo-18-crown-6 is 68941-06-0.
What is the molecular formula of 4'-Aminobenzo-18-crown-6?
The molecular formula of 4'-Aminobenzo-18-crown-6 is C16H25NO6.
What is the molecular weight of 4'-Aminobenzo-18-crown-6?
The molecular weight of 4'-Aminobenzo-18-crown-6 is 327.17 g/mol.
Where can I buy 4'-Aminobenzo-18-crown-6?
You can request a quote for 4'-Aminobenzo-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'-Aminobenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 4'-Aminobenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.