Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-
TL;DR: Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- (CAS 55727-22-5) is a chemical compound with molecular formula C9H12N4 and molecular weight 176.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)propanedinitrile
Also Known As: 1,4-bis-trimethylsiloxycyclohexane, 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)propanedinitrile, Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-, (1,3-Dimethyl-1,3-diazinan-2-ylidene)propanedinitrile, (1,3-dimethyl-2-perhydropyrimidinylidene)-malononitrile
| Molecular Formula | C9H12N4 |
|---|---|
| Molecular Weight | 176.11 g/mol |
| LogP | 0.51246 |
| Topological Polar Surface Area | 54.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.1062 |
| Heavy Atoms | 13 |
| Complexity | 276.55685 |
Chemical Identifiers
| CAS Number | 55727-22-5 |
|---|---|
| SMILES | CN1CCCN(C1=C(C#N)C#N)C |
Product Overview
Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- (CAS 55727-22-5), with molecular formula C9H12N4 and molecular weight 176.11 g/mol. IUPAC: 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-
Property Insights of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-
The XLogP value of 0.51246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-. With a topological polar surface area (TPSA) of 54.06 Ų, Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- 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 Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-?
The CAS number of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- is 55727-22-5.
What is the molecular formula of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-?
The molecular formula of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- is C9H12N4.
What is the molecular weight of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-?
The molecular weight of Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- is 176.11 g/mol.
Where can I buy Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-?
You can request a quote for Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (tetrahydro-1,3-dimethyl-2(1H)-pyrimidinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.