2-氧代-3-苯基-3-丙基环己烷-1-甲腈
TL;DR: 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 (CAS 53586-81-5) is a chemical compound with molecular formula C16H19NO and molecular weight 241.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氧代-3-苯基-3-丙基环己烷-1-甲腈
2-oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile
Also Known As: 2-oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile, RefChem:264900
| Molecular Formula | C16H19NO |
|---|---|
| Molecular Weight | 241.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.14667 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 53586-81-5 |
|---|---|
| SMILES | CCCC1(CCCC(C1=O)C#N)C2=CC=CC=C2 |
| InChIKey | MESINIZSGIFEJZ-UHFFFAOYSA-N |
Product Overview
2-氧代-3-苯基-3-丙基环己烷-1-甲腈 (CAS 53586-81-5), with molecular formula C16H19NO and molecular weight 241.15 g/mol. IUPAC: 2-oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile.
Chemical Property Profile of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈
Property Insights of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈
The XLogP value of 3.9 indicates that 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 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 2-氧代-3-苯基-3-丙基环己烷-1-甲腈?
The CAS number of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 is 53586-81-5.
What is the molecular formula of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈?
The molecular formula of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 is C16H19NO.
What is the molecular weight of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈?
The molecular weight of 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 is 241.15 g/mol.
Where can I buy 2-氧代-3-苯基-3-丙基环己烷-1-甲腈?
You can request a quote for 2-氧代-3-苯基-3-丙基环己烷-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 2-氧代-3-苯基-3-丙基环己烷-1-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氧代-3-苯基-3-丙基环己烷-1-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.