Propanenitrile, 2-methyl-3-(1-methylethyl)oxy
TL;DR: Propanenitrile, 2-methyl-3-(1-methylethyl)oxy (CAS 33573-96-5) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-propan-2-yloxypropanenitrile
Also Known As: 2-methyl-3-(propan-2-yloxy)propanenitrile, 2-Methyl-3-isopropoxypropanenitrile, Propanenitrile, 2-methyl-3-(1-methylethyl)oxy, 2-methyl-3-propan-2-yloxypropanenitrile, J1.743.521C
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 33573-96-5 |
|---|---|
| SMILES | CC(C)OCC(C)C#N |
| InChIKey | XQKSXHAHCPLSIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 2-methyl-3-(1-methylethyl)oxy (CAS 33573-96-5), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 2-methyl-3-propan-2-yloxypropanenitrile.
Chemical Property Profile of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy
Property Insights of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 2-methyl-3-(1-methylethyl)oxy. With a topological polar surface area (TPSA) of 33.0 Ų, Propanenitrile, 2-methyl-3-(1-methylethyl)oxy exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 2-methyl-3-(1-methylethyl)oxy 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 Propanenitrile, 2-methyl-3-(1-methylethyl)oxy?
The CAS number of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy is 33573-96-5.
What is the molecular formula of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy?
The molecular formula of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy is C7H13NO.
What is the molecular weight of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy?
The molecular weight of Propanenitrile, 2-methyl-3-(1-methylethyl)oxy is 127.10 g/mol.
Where can I buy Propanenitrile, 2-methyl-3-(1-methylethyl)oxy?
You can request a quote for Propanenitrile, 2-methyl-3-(1-methylethyl)oxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 2-methyl-3-(1-methylethyl)oxy?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 2-methyl-3-(1-methylethyl)oxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.