1-(4-甲基苯基)环戊烷-1-甲腈
TL;DR: 1-(4-甲基苯基)环戊烷-1-甲腈 (CAS 68983-70-0) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-甲基苯基)环戊烷-1-甲腈
1-(4-methylphenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(p-Tolyl)cyclopentanecarbonitrile, 1-(4-Methylphenyl)cyclopentane-1-carbonitrile, 4-ETHYLOCTANOICACID, 1-(4-METHYLPHENYL)-1-CYCLOPENTANECARBONITRILE, 1-(4-methylphenyl)cyclopentanecarbonitrile
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 68983-70-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(CCCC2)C#N |
| InChIKey | GTHMJIFNCGSBJT-UHFFFAOYSA-N |
Product Overview
1-(4-甲基苯基)环戊烷-1-甲腈 (CAS 68983-70-0), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 1-(4-methylphenyl)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(4-甲基苯基)环戊烷-1-甲腈
Property Insights of 1-(4-甲基苯基)环戊烷-1-甲腈
The XLogP value of 3.4 indicates that 1-(4-甲基苯基)环戊烷-1-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(4-甲基苯基)环戊烷-1-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-甲基苯基)环戊烷-1-甲腈 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 1-(4-甲基苯基)环戊烷-1-甲腈?
The CAS number of 1-(4-甲基苯基)环戊烷-1-甲腈 is 68983-70-0.
What is the molecular formula of 1-(4-甲基苯基)环戊烷-1-甲腈?
The molecular formula of 1-(4-甲基苯基)环戊烷-1-甲腈 is C13H15N.
What is the molecular weight of 1-(4-甲基苯基)环戊烷-1-甲腈?
The molecular weight of 1-(4-甲基苯基)环戊烷-1-甲腈 is 185.12 g/mol.
Where can I buy 1-(4-甲基苯基)环戊烷-1-甲腈?
You can request a quote for 1-(4-甲基苯基)环戊烷-1-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-甲基苯基)环戊烷-1-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-甲基苯基)环戊烷-1-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.