Cyclopropene-3-carbonitrile, 1-methyl-
TL;DR: Cyclopropene-3-carbonitrile, 1-methyl- (CAS 85523-25-7) is a chemical compound with molecular formula C5H5N and molecular weight 79.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcycloprop-2-ene-1-carbonitrile
Also Known As: 1-methylcycloprop-2-ene-1-carbonitrile, Cyclopropene-3-carbonitrile, 1-methyl-, 3-Cyano-3-methylcyclopropene, 3-methyl-3-cyanocyclopropene, 1-Methyl-2-cyclopropene-1-carbonitrile
| Molecular Formula | C5H5N |
|---|---|
| Molecular Weight | 79.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 79.0422 |
| Heavy Atoms | 6 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 85523-25-7 |
|---|---|
| SMILES | CC1(C=C1)C#N |
| InChIKey | XYSZFWTYCDPXEQ-UHFFFAOYSA-N |
Product Overview
Cyclopropene-3-carbonitrile, 1-methyl- (CAS 85523-25-7), with molecular formula C5H5N and molecular weight 79.04 g/mol. IUPAC: 1-methylcycloprop-2-ene-1-carbonitrile.
Chemical Property Profile of Cyclopropene-3-carbonitrile, 1-methyl-
Property Insights of Cyclopropene-3-carbonitrile, 1-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropene-3-carbonitrile, 1-methyl-. With a topological polar surface area (TPSA) of 23.8 Ų, Cyclopropene-3-carbonitrile, 1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropene-3-carbonitrile, 1-methyl- has 0 hydrogen bond donor(s) and 1 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 Cyclopropene-3-carbonitrile, 1-methyl-?
The CAS number of Cyclopropene-3-carbonitrile, 1-methyl- is 85523-25-7.
What is the molecular formula of Cyclopropene-3-carbonitrile, 1-methyl-?
The molecular formula of Cyclopropene-3-carbonitrile, 1-methyl- is C5H5N.
What is the molecular weight of Cyclopropene-3-carbonitrile, 1-methyl-?
The molecular weight of Cyclopropene-3-carbonitrile, 1-methyl- is 79.04 g/mol.
Where can I buy Cyclopropene-3-carbonitrile, 1-methyl-?
You can request a quote for Cyclopropene-3-carbonitrile, 1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropene-3-carbonitrile, 1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropene-3-carbonitrile, 1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.