环戊叉基乙腈
TL;DR: 环戊叉基乙腈 (CAS 5732-88-7) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环戊叉基乙腈
2-cyclopentylideneacetonitrile
Also Known As: 2-cyclopentylideneacetonitrile, Cyclopentylideneacetonitrile, Cyclopentyliden-acetonitril, Acetonitrile, cyclopentylidene-, 2-Cyclopenylideneacetonitrile
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5732-88-7 |
|---|---|
| SMILES | C1CCC(=CC#N)C1 |
| InChIKey | DNAYRSBMBDMJNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环戊叉基乙腈 (CAS 5732-88-7), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: 2-cyclopentylideneacetonitrile.
Chemical Property Profile of 环戊叉基乙腈
Property Insights of 环戊叉基乙腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环戊叉基乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 环戊叉基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环戊叉基乙腈 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 环戊叉基乙腈?
The CAS number of 环戊叉基乙腈 is 5732-88-7.
What is the molecular formula of 环戊叉基乙腈?
The molecular formula of 环戊叉基乙腈 is C7H9N.
What is the molecular weight of 环戊叉基乙腈?
The molecular weight of 环戊叉基乙腈 is 107.07 g/mol.
Where can I buy 环戊叉基乙腈?
You can request a quote for 环戊叉基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环戊叉基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 环戊叉基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.