2-Carboxylic acid dibenzo-18-crown-6
TL;DR: 2-Carboxylic acid dibenzo-18-crown-6 (CAS 125041-53-4) is a chemical compound with molecular formula C21H24O8 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carboxylic acid
Also Known As: 2-Carboxylic acid dibenzo-18-crown-6, 6,7,9,10,17,18,20,21-Octahydro-dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-carboxylic acid, 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2-carboxylic acid
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 2.647 |
| Topological Polar Surface Area | 92.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 792.0006 |
Chemical Identifiers
| CAS Number | 125041-53-4 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C(=O)O)OCCOCCOC3=CC=CC=C3OCCO1 |
Product Overview
2-Carboxylic acid dibenzo-18-crown-6 (CAS 125041-53-4), with molecular formula C21H24O8 and molecular weight 404.15 g/mol. IUPAC: 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carboxylic acid.
Chemical Property Profile of 2-Carboxylic acid dibenzo-18-crown-6
Property Insights of 2-Carboxylic acid dibenzo-18-crown-6
The XLogP value of 2.647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carboxylic acid dibenzo-18-crown-6. The TPSA of 92.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carboxylic acid dibenzo-18-crown-6. Following Lipinski's Rule of Five, 2-Carboxylic acid dibenzo-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 2-Carboxylic acid dibenzo-18-crown-6?
The CAS number of 2-Carboxylic acid dibenzo-18-crown-6 is 125041-53-4.
What is the molecular formula of 2-Carboxylic acid dibenzo-18-crown-6?
The molecular formula of 2-Carboxylic acid dibenzo-18-crown-6 is C21H24O8.
What is the molecular weight of 2-Carboxylic acid dibenzo-18-crown-6?
The molecular weight of 2-Carboxylic acid dibenzo-18-crown-6 is 404.15 g/mol.
Where can I buy 2-Carboxylic acid dibenzo-18-crown-6?
You can request a quote for 2-Carboxylic acid dibenzo-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 2-Carboxylic acid dibenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 2-Carboxylic acid dibenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.