Propylene diquat
TL;DR: Propylene diquat (CAS 121013-72-7) is a chemical compound with molecular formula C13H14N2 and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
Also Known As: Pdq dibromide, Propylene diquat, Pdq-radical, Pdq(+), 1,1'-Propylene-2,2'-bipyridyl
| Molecular Formula | C13H14N2 |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.11569 |
| Heavy Atoms | 15 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 121013-72-7 |
|---|---|
| SMILES | CC1CN2C=CC=CC2=C3N1C=CC=C3 |
| InChIKey | LZCOLZOYZSYYAG-UHFFFAOYSA-N |
Product Overview
Propylene diquat (CAS 121013-72-7), with molecular formula C13H14N2 and molecular weight 198.12 g/mol. IUPAC: 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.
Chemical Property Profile of Propylene diquat
Property Insights of Propylene diquat
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylene diquat. With a topological polar surface area (TPSA) of 6.5 Ų, Propylene diquat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene diquat has 0 hydrogen bond donor(s) and 2 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 Propylene diquat?
The CAS number of Propylene diquat is 121013-72-7.
What is the molecular formula of Propylene diquat?
The molecular formula of Propylene diquat is C13H14N2.
What is the molecular weight of Propylene diquat?
The molecular weight of Propylene diquat is 198.12 g/mol.
Where can I buy Propylene diquat?
You can request a quote for Propylene diquat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene diquat?
Yes, KEHONG BIO provides custom synthesis services for Propylene diquat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.