EINECS 279-625-8
TL;DR: EINECS 279-625-8 (CAS 80912-78-3) is a chemical compound with molecular formula C26H28F2N4O and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]cyclohexane-1-carbonitrile
Also Known As: EINECS 279-625-8, R-48455, cis-1-(4-Fluorophenyl)-4-(1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro(4.5)dec-8-yl)cyclohexanecarbonitrile, (1s,4s)-1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]cyclohexane-1-carbonitrile, 1-(4-Fluorophenyl)-4-[1-(4-fluorophenyl)-4-hydroxy-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]cyclohexane-1-carbonitrile
| Molecular Formula | C26H28F2N4O |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 4.09728 |
| Topological Polar Surface Area | 59.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.2231 |
| Heavy Atoms | 33 |
| Complexity | 1047.1946 |
Chemical Identifiers
| CAS Number | 80912-78-3 |
|---|---|
| SMILES | C1CC(CCC1N2CCC3(CC2)C(=O)NCN3C4=CC=C(C=C4)F)(C#N)C5=CC=C(C=C5)F |
Product Overview
EINECS 279-625-8 (CAS 80912-78-3), with molecular formula C26H28F2N4O and molecular weight 450.22 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]cyclohexane-1-carbonitrile.
Chemical Property Profile of EINECS 279-625-8
Property Insights of EINECS 279-625-8
The XLogP value of 4.09728 indicates that EINECS 279-625-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.37 Ų, EINECS 279-625-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 279-625-8 has 1 hydrogen bond donor(s) and 4 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 EINECS 279-625-8?
The CAS number of EINECS 279-625-8 is 80912-78-3.
What is the molecular formula of EINECS 279-625-8?
The molecular formula of EINECS 279-625-8 is C26H28F2N4O.
What is the molecular weight of EINECS 279-625-8?
The molecular weight of EINECS 279-625-8 is 450.22 g/mol.
Where can I buy EINECS 279-625-8?
You can request a quote for EINECS 279-625-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-625-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-625-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.