2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile
TL;DR: 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile (CAS 70029-96-8) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile
Also Known As: 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile, 1,3-Dioxolane-2-acetonitrile, 2-methyl-, ZERO/008104, (2-methyl-1,3-dioxolan-2-yl)acetonitrile, 2-Methyl-1,3-dioxolane-2-acetonitrile
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.66308 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 132.4835 |
Chemical Identifiers
| CAS Number | 70029-96-8 |
|---|---|
| SMILES | CC1(OCCO1)CC#N |
Product Overview
2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile (CAS 70029-96-8), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile.
Chemical Property Profile of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile
Property Insights of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile
The XLogP value of 0.66308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile 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 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile?
The CAS number of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile is 70029-96-8.
What is the molecular formula of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile?
The molecular formula of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile is C6H9NO2.
What is the molecular weight of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile?
The molecular weight of 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile is 127.06 g/mol.
Where can I buy 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile?
You can request a quote for 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.