3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile
TL;DR: 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile (CAS 101938-08-3) is a chemical compound with molecular formula C14H16N2 and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-imino-3-phenylcyclopentane-1-carbonitrile
Also Known As: 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile, 3-ethyl-2-imino-3-phenyl-1-cyclopentanecarbonitrile, 3-ethyl-2-imino-3-phenylcyclopentane-1-carbonitrile
| Molecular Formula | C14H16N2 |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.13135 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 101938-08-3 |
|---|---|
| SMILES | CCC1(CCC(C1=N)C#N)C2=CC=CC=C2 |
| InChIKey | CBRZMQFBVYDRGV-UHFFFAOYSA-N |
Product Overview
3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile (CAS 101938-08-3), with molecular formula C14H16N2 and molecular weight 212.13 g/mol. IUPAC: 3-ethyl-2-imino-3-phenylcyclopentane-1-carbonitrile.
Chemical Property Profile of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile
Property Insights of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile has 1 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-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile?
The CAS number of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile is 101938-08-3.
What is the molecular formula of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile?
The molecular formula of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile is C14H16N2.
What is the molecular weight of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile?
The molecular weight of 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile is 212.13 g/mol.
Where can I buy 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile?
You can request a quote for 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-imino-3-phenylcyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.