3-Methyl-3-phenyloxirane-2-carbonitrile
TL;DR: 3-Methyl-3-phenyloxirane-2-carbonitrile (CAS 6954-51-4) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-phenyloxirane-2-carbonitrile
Also Known As: 3-methyl-3-phenyloxirane-2-carbonitrile, Oxiranecarbonitrile, 3-methyl-3-phenyl-, 3-methyl-3-phenyl-oxiranecarbonitrile, Oxiranecarbonitrile,3-methyl-3-phenyl-, 2-Oxiranecarbonitrile,3-methyl-3-phenyl-
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 6954-51-4 |
|---|---|
| SMILES | CC1(C(O1)C#N)C2=CC=CC=C2 |
| InChIKey | QCAMDQRKWIVWKA-UHFFFAOYSA-N |
Product Overview
3-Methyl-3-phenyloxirane-2-carbonitrile (CAS 6954-51-4), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 3-methyl-3-phenyloxirane-2-carbonitrile.
Chemical Property Profile of 3-Methyl-3-phenyloxirane-2-carbonitrile
Property Insights of 3-Methyl-3-phenyloxirane-2-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-phenyloxirane-2-carbonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 3-Methyl-3-phenyloxirane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-phenyloxirane-2-carbonitrile 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 3-Methyl-3-phenyloxirane-2-carbonitrile?
The CAS number of 3-Methyl-3-phenyloxirane-2-carbonitrile is 6954-51-4.
What is the molecular formula of 3-Methyl-3-phenyloxirane-2-carbonitrile?
The molecular formula of 3-Methyl-3-phenyloxirane-2-carbonitrile is C10H9NO.
What is the molecular weight of 3-Methyl-3-phenyloxirane-2-carbonitrile?
The molecular weight of 3-Methyl-3-phenyloxirane-2-carbonitrile is 159.07 g/mol.
Where can I buy 3-Methyl-3-phenyloxirane-2-carbonitrile?
You can request a quote for 3-Methyl-3-phenyloxirane-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-phenyloxirane-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-phenyloxirane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.