15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile
TL;DR: 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile (CAS 77037-31-1) is a chemical compound with molecular formula C20H16N6 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,13,16-tetrazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,14,16,18,20-nonaene-14,15-dicarbonitrile
Also Known As: 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile
| Molecular Formula | C20H16N6 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.14365 |
| Heavy Atoms | 26 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 77037-31-1 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2C=NC(=C(N=CC3=CC=CC=C3N1)C#N)C#N |
| InChIKey | UCHHBXJVWWEPSW-UHFFFAOYSA-N |
Product Overview
15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile (CAS 77037-31-1), with molecular formula C20H16N6 and molecular weight 340.14 g/mol. IUPAC: 2,5,13,16-tetrazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,14,16,18,20-nonaene-14,15-dicarbonitrile.
Chemical Property Profile of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile
Property Insights of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile. Following Lipinski's Rule of Five, 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile has 2 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 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile?
The CAS number of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile is 77037-31-1.
What is the molecular formula of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile?
The molecular formula of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile is C20H16N6.
What is the molecular weight of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile?
The molecular weight of 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile is 340.14 g/mol.
Where can I buy 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile?
You can request a quote for 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 15,16,17,18-Tetrahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine-7,8-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.