5-Methoxy-2-propylisophthalonitrile
TL;DR: 5-Methoxy-2-propylisophthalonitrile (CAS 28746-14-7) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-propylbenzene-1,3-dicarbonitrile
Also Known As: 5-Methoxy-2-propylisophthalonitrile, 5-methoxy-2-propyl-isophthalonitrile, 5-methoxy-2-propylbenzene-1,3-dicarbonitrile, 5-methoxy-2-propyl-benzene-1,3-dicarbonitrile
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.39106 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 402.91095 |
Chemical Identifiers
| CAS Number | 28746-14-7 |
|---|---|
| SMILES | CCCC1=C(C=C(C=C1C#N)OC)C#N |
Product Overview
5-Methoxy-2-propylisophthalonitrile (CAS 28746-14-7), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 5-methoxy-2-propylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 5-Methoxy-2-propylisophthalonitrile
Property Insights of 5-Methoxy-2-propylisophthalonitrile
The XLogP value of 2.39106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-2-propylisophthalonitrile. With a topological polar surface area (TPSA) of 56.81 Ų, 5-Methoxy-2-propylisophthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-propylisophthalonitrile has 0 hydrogen bond donor(s) and 3 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 5-Methoxy-2-propylisophthalonitrile?
The CAS number of 5-Methoxy-2-propylisophthalonitrile is 28746-14-7.
What is the molecular formula of 5-Methoxy-2-propylisophthalonitrile?
The molecular formula of 5-Methoxy-2-propylisophthalonitrile is C12H12N2O.
What is the molecular weight of 5-Methoxy-2-propylisophthalonitrile?
The molecular weight of 5-Methoxy-2-propylisophthalonitrile is 200.09 g/mol.
Where can I buy 5-Methoxy-2-propylisophthalonitrile?
You can request a quote for 5-Methoxy-2-propylisophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-propylisophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-propylisophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.