4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane
TL;DR: 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane (CAS 3268-74-4) is a chemical compound with molecular formula C1COCCN2CCOCCOCCN1CCOCCOCC2 and molecular weight 332.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
Also Known As: Kryptofix 221, 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo[8.8.5]tricosane, Cryptand 221, Cryptating agent 221, cryptofix 221
| Molecular Formula | C1COCCN2CCOCCOCCN1CCOCCOCC2 |
|---|---|
| Molecular Weight | 332.23 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.2311 |
| Heavy Atoms | 23 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 3268-74-4 |
|---|---|
| SMILES | C1COCCN2CCOCCOCCN1CCOCCOCC2 |
| InChIKey | HDLXPNDSLDLJHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane (CAS 3268-74-4), with molecular formula C1COCCN2CCOCCOCCN1CCOCCOCC2 and molecular weight 332.23 g/mol. IUPAC: 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane.
Chemical Property Profile of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane
Property Insights of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane
The XLogP value of -0.9 indicates that 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane has 0 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 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane?
The CAS number of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane is 3268-74-4.
What is the molecular formula of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane?
The molecular formula of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane is C1COCCN2CCOCCOCCN1CCOCCOCC2.
What is the molecular weight of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane?
The molecular weight of 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane is 332.23 g/mol.
Where can I buy 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane?
You can request a quote for 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane?
Yes, KEHONG BIO provides custom synthesis services for 4,7,13,16,21-Pentaoxa-1,10-diazabicyclo(8.8.5)tricosane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.