1-(4-氟苯基)-4-氧代环己甲腈
TL;DR: 1-(4-氟苯基)-4-氧代环己甲腈 (CAS 56326-98-8) is a chemical compound with molecular formula C13H12FNO and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-氟苯基)-4-氧代环己甲腈
1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile
Also Known As: 4-Cyano-4-(4-fluorophenyl)cyclohexanone, 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile, 4-CYANO-4- CYCLOHEXANONE, Tox21_113828
| Molecular Formula | C13H12FNO |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.09029 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 56326-98-8 |
|---|---|
| SMILES | C1CC(CCC1=O)(C#N)C2=CC=C(C=C2)F |
| InChIKey | FNWWTNNFZGBMEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-氟苯基)-4-氧代环己甲腈 (CAS 56326-98-8), with molecular formula C13H12FNO and molecular weight 217.09 g/mol. IUPAC: 1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(4-氟苯基)-4-氧代环己甲腈
Property Insights of 1-(4-氟苯基)-4-氧代环己甲腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-氟苯基)-4-氧代环己甲腈. With a topological polar surface area (TPSA) of 40.9 Ų, 1-(4-氟苯基)-4-氧代环己甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-氟苯基)-4-氧代环己甲腈 has 0 hydrogen bond donor(s) and 3 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-氟苯基)-4-氧代环己甲腈?
The CAS number of 1-(4-氟苯基)-4-氧代环己甲腈 is 56326-98-8.
What is the molecular formula of 1-(4-氟苯基)-4-氧代环己甲腈?
The molecular formula of 1-(4-氟苯基)-4-氧代环己甲腈 is C13H12FNO.
What is the molecular weight of 1-(4-氟苯基)-4-氧代环己甲腈?
The molecular weight of 1-(4-氟苯基)-4-氧代环己甲腈 is 217.09 g/mol.
Where can I buy 1-(4-氟苯基)-4-氧代环己甲腈?
You can request a quote for 1-(4-氟苯基)-4-氧代环己甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-氟苯基)-4-氧代环己甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-氟苯基)-4-氧代环己甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.