Dibenzotriaza-18-crown-6
TL;DR: Dibenzotriaza-18-crown-6 (CAS 54533-75-4) is a chemical compound with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8,18-trioxa-5,15,21-triazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
Also Known As: Dibenzotriaza-18-crown-6, 7,8,9,10,17,18,21,22-Octahydro-6H,16H,20H-dibenzo[b,k][1,7,13,4,10,16]trioxatriazacyclooctadecine, 2,3,11,12-Dibenzo-1,7,13-trioxa-4,10,16-triazacyclooctadeca-2,11-diene, 2,8,18-trioxa-5,15,21-triazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene, 6,7,9,10,17,18,20,21-Octahydro-8H,16H,22H-dibenzo[b,k][1,7,13,4,10,16]trioxatriazacyclooctadecine
| Molecular Formula | C20H27N3O3 |
|---|---|
| Molecular Weight | 357.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 357.20523 |
| Heavy Atoms | 26 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 54533-75-4 |
|---|---|
| SMILES | C1COC2=CC=CC=C2NCCOCCNC3=CC=CC=C3OCCN1 |
| InChIKey | DQZXGFPUEXMLBL-UHFFFAOYSA-N |
Product Overview
Dibenzotriaza-18-crown-6 (CAS 54533-75-4), with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol. IUPAC: 2,8,18-trioxa-5,15,21-triazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene.
Chemical Property Profile of Dibenzotriaza-18-crown-6
Property Insights of Dibenzotriaza-18-crown-6
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzotriaza-18-crown-6. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzotriaza-18-crown-6. Following Lipinski's Rule of Five, Dibenzotriaza-18-crown-6 has 3 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 Dibenzotriaza-18-crown-6?
The CAS number of Dibenzotriaza-18-crown-6 is 54533-75-4.
What is the molecular formula of Dibenzotriaza-18-crown-6?
The molecular formula of Dibenzotriaza-18-crown-6 is C20H27N3O3.
What is the molecular weight of Dibenzotriaza-18-crown-6?
The molecular weight of Dibenzotriaza-18-crown-6 is 357.21 g/mol.
Where can I buy Dibenzotriaza-18-crown-6?
You can request a quote for Dibenzotriaza-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 Dibenzotriaza-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for Dibenzotriaza-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.