Benzo-27-crown-9
TL;DR: Benzo-27-crown-9 (CAS 63144-76-3) is a chemical compound with molecular formula C22H36O9 and molecular weight 444.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(31),27,29-triene
Also Known As: Benzo-27-crown-9, J1.622.466I, 2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(31),27,29-triene, 2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-27,29,31-triene, 2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24-Hexadecahydro-1,4,7,10,13,16,19,22,25-benzononaoxacycloheptacosin
| Molecular Formula | C22H36O9 |
|---|---|
| Molecular Weight | 444.24 g/mol |
| LogP | 1.574 |
| Topological Polar Surface Area | 83.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 444.23593 |
| Heavy Atoms | 31 |
| Complexity | 484.45798 |
Chemical Identifiers
| CAS Number | 63144-76-3 |
|---|---|
| SMILES | C1COCCOCCOCCOC2=CC=CC=C2OCCOCCOCCOCCO1 |
Product Overview
Benzo-27-crown-9 (CAS 63144-76-3), with molecular formula C22H36O9 and molecular weight 444.24 g/mol. IUPAC: 2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(31),27,29-triene.
Chemical Property Profile of Benzo-27-crown-9
Property Insights of Benzo-27-crown-9
The XLogP value of 1.574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo-27-crown-9. The TPSA of 83.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo-27-crown-9. Following Lipinski's Rule of Five, Benzo-27-crown-9 has 0 hydrogen bond donor(s) and 9 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 Benzo-27-crown-9?
The CAS number of Benzo-27-crown-9 is 63144-76-3.
What is the molecular formula of Benzo-27-crown-9?
The molecular formula of Benzo-27-crown-9 is C22H36O9.
What is the molecular weight of Benzo-27-crown-9?
The molecular weight of Benzo-27-crown-9 is 444.24 g/mol.
Where can I buy Benzo-27-crown-9?
You can request a quote for Benzo-27-crown-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo-27-crown-9?
Yes, KEHONG BIO provides custom synthesis services for Benzo-27-crown-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.