4'-Carboxybenzo-18-crown 6-Ether
TL;DR: 4'-Carboxybenzo-18-crown 6-Ether (CAS 60835-75-8) is a chemical compound with molecular formula C17H24O8 and molecular weight 356.15 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-triene-20-carboxylic acid
Also Known As: 4'-Carboxybenzo-18-crown 6-Ether, Brombuterol, 4'-Carboxybenzo-18-crown-6, 4'-Carboxybenzo-18C6, 4-Carboxybenzo-18-crown-6
| Molecular Formula | C17H24O8 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 1.2224 |
| Topological Polar Surface Area | 92.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.14713 |
| Heavy Atoms | 25 |
| Complexity | 519.3693 |
Chemical Identifiers
| CAS Number | 60835-75-8 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1 |
Product Overview
4'-Carboxybenzo-18-crown 6-Ether (CAS 60835-75-8), with molecular formula C17H24O8 and molecular weight 356.15 g/mol. IUPAC: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid.
Chemical Property Profile of 4'-Carboxybenzo-18-crown 6-Ether
Property Insights of 4'-Carboxybenzo-18-crown 6-Ether
The XLogP value of 1.2224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Carboxybenzo-18-crown 6-Ether. The TPSA of 92.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Carboxybenzo-18-crown 6-Ether. Following Lipinski's Rule of Five, 4'-Carboxybenzo-18-crown 6-Ether 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'-Carboxybenzo-18-crown 6-Ether?
The CAS number of 4'-Carboxybenzo-18-crown 6-Ether is 60835-75-8.
What is the molecular formula of 4'-Carboxybenzo-18-crown 6-Ether?
The molecular formula of 4'-Carboxybenzo-18-crown 6-Ether is C17H24O8.
What is the molecular weight of 4'-Carboxybenzo-18-crown 6-Ether?
The molecular weight of 4'-Carboxybenzo-18-crown 6-Ether is 356.15 g/mol.
Where can I buy 4'-Carboxybenzo-18-crown 6-Ether?
You can request a quote for 4'-Carboxybenzo-18-crown 6-Ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Carboxybenzo-18-crown 6-Ether?
Yes, KEHONG BIO provides custom synthesis services for 4'-Carboxybenzo-18-crown 6-Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.