(4-Methylpentan-2-ylidene)propanedinitrile
TL;DR: (4-Methylpentan-2-ylidene)propanedinitrile (CAS 13151-92-3) is a chemical compound with molecular formula C9H12N2 and molecular weight 148.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpentan-2-ylidene)propanedinitrile
Also Known As: (4-methylpentan-2-ylidene)propanedinitrile, 2-(4-methylpentan-2-ylidene)propanedinitrile, (1,3-Dimethylbutylidene)malononitrile, 2-Cyano-3,5-dimethylhex-2-ennitril, 2-cyano-3,5-dimethyl-2-hexenenitrile
| Molecular Formula | C9H12N2 |
|---|---|
| Molecular Weight | 148.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.10005 |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 13151-92-3 |
|---|---|
| SMILES | CC(C)CC(=C(C#N)C#N)C |
| InChIKey | JZIRXADCEWFWTH-UHFFFAOYSA-N |
Product Overview
(4-Methylpentan-2-ylidene)propanedinitrile (CAS 13151-92-3), with molecular formula C9H12N2 and molecular weight 148.10 g/mol. IUPAC: 2-(4-methylpentan-2-ylidene)propanedinitrile.
Chemical Property Profile of (4-Methylpentan-2-ylidene)propanedinitrile
Property Insights of (4-Methylpentan-2-ylidene)propanedinitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methylpentan-2-ylidene)propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, (4-Methylpentan-2-ylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methylpentan-2-ylidene)propanedinitrile 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 (4-Methylpentan-2-ylidene)propanedinitrile?
The CAS number of (4-Methylpentan-2-ylidene)propanedinitrile is 13151-92-3.
What is the molecular formula of (4-Methylpentan-2-ylidene)propanedinitrile?
The molecular formula of (4-Methylpentan-2-ylidene)propanedinitrile is C9H12N2.
What is the molecular weight of (4-Methylpentan-2-ylidene)propanedinitrile?
The molecular weight of (4-Methylpentan-2-ylidene)propanedinitrile is 148.10 g/mol.
Where can I buy (4-Methylpentan-2-ylidene)propanedinitrile?
You can request a quote for (4-Methylpentan-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylpentan-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylpentan-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.