Quasimetacyclophane
TL;DR: Quasimetacyclophane (CAS 8013-47-6) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,16-dimethyl-4,8,10,14-tetrazapentacyclo[8.6.1.14,14.02,8.03,16]octadecane-9,15,17,18-tetrone
Also Known As: Quasimetacyclophane, 4H,9H-5,8-Propano-1H-3a,5,8,9a-tetraazacyclohepta(def)biphenylene-4,6,7,9-tetrone, hexahydro-6a,6b-dimethyl-, 1,16-dimethyl-4,8,10,14-tetrazapentacyclo[8.6.1.14,14.02,8.03,16]octadecane-9,15,17,18-tetrone, 6a,6b-Dimethylhexahydro-1H,4H,9H-5,8-propano-3a,5,8,9a-tetraazacyclohepta[1,2,3,4-def]biphenylene-4,6,7,9-tetrone, magnesium sodium 4-{1-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-5-methyl-2-(propan-2-yl)phenyl phosphate(1:2:2)
| Molecular Formula | C16H20N4O4 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.14847 |
| Heavy Atoms | 24 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 8013-47-6 |
|---|---|
| SMILES | CC12C3C4C1(C(=O)N5CCCN(C2=O)C(=O)N3CCCN4C5=O)C |
| InChIKey | OUCQADGZQCRJSA-UHFFFAOYSA-N |
Product Overview
Quasimetacyclophane (CAS 8013-47-6), with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol. IUPAC: 1,16-dimethyl-4,8,10,14-tetrazapentacyclo[8.6.1.14,14.02,8.03,16]octadecane-9,15,17,18-tetrone.
Chemical Property Profile of Quasimetacyclophane
Property Insights of Quasimetacyclophane
The XLogP value of -0.8 indicates that Quasimetacyclophane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Quasimetacyclophane. Following Lipinski's Rule of Five, Quasimetacyclophane has 0 hydrogen bond donor(s) and 4 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 Quasimetacyclophane?
The CAS number of Quasimetacyclophane is 8013-47-6.
What is the molecular formula of Quasimetacyclophane?
The molecular formula of Quasimetacyclophane is C16H20N4O4.
What is the molecular weight of Quasimetacyclophane?
The molecular weight of Quasimetacyclophane is 332.15 g/mol.
Where can I buy Quasimetacyclophane?
You can request a quote for Quasimetacyclophane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quasimetacyclophane?
Yes, KEHONG BIO provides custom synthesis services for Quasimetacyclophane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.