2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene
TL;DR: 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene (CAS 54293-30-0) is a chemical compound with molecular formula C15H27N5 and molecular weight 277.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,13-dimethyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene
Also Known As: CC1NCCNCCNCCNC(C)c2cccc1n2, J2.666.431D, 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene, 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene, 2,13-dimethyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(1
| Molecular Formula | C15H27N5 |
|---|---|
| Molecular Weight | 277.23 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.22665 |
| Heavy Atoms | 20 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 54293-30-0 |
|---|---|
| SMILES | CC1C2=NC(=CC=C2)C(NCCNCCNCCN1)C |
| InChIKey | QMGACGSQPZVQLD-UHFFFAOYSA-N |
Product Overview
2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene (CAS 54293-30-0), with molecular formula C15H27N5 and molecular weight 277.23 g/mol. IUPAC: 2,13-dimethyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene.
Chemical Property Profile of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene
Property Insights of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene
The XLogP value of -0.6 indicates that 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene. Following Lipinski's Rule of Five, 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene has 4 hydrogen bond donor(s) and 5 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 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene?
The CAS number of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene is 54293-30-0.
What is the molecular formula of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene?
The molecular formula of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene is C15H27N5.
What is the molecular weight of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene?
The molecular weight of 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene is 277.23 g/mol.
Where can I buy 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene?
You can request a quote for 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene?
Yes, KEHONG BIO provides custom synthesis services for 2,13-Dimethyl-3,6,9,12,18-pentaazabicyclo(12.3.1)octadeca-1(18),14,16-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.