3P-718
TL;DR: 3P-718 (CAS 551930-80-4) is a chemical compound with molecular formula C20H14ClF3N4O and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-one
Also Known As: 3P-718, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-one, 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[2-(1H-indol-3-yl)ethyl]-4(1H)-pyrimidinone, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[2-(1H-indol-3-yl)ethyl]-1,4-dihydropyrimidin-4-one
| Molecular Formula | C20H14ClF3N4O |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 4.7015 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0808 |
| Heavy Atoms | 29 |
| Complexity | 1246.4343 |
Chemical Identifiers
| CAS Number | 551930-80-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCN3C=C(C(=O)N=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3P-718 (CAS 551930-80-4), with molecular formula C20H14ClF3N4O and molecular weight 418.08 g/mol. IUPAC: 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-one.
Chemical Property Profile of 3P-718
Property Insights of 3P-718
The XLogP value of 4.7015 indicates that 3P-718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3P-718. Following Lipinski's Rule of Five, 3P-718 has 1 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 3P-718?
The CAS number of 3P-718 is 551930-80-4.
What is the molecular formula of 3P-718?
The molecular formula of 3P-718 is C20H14ClF3N4O.
What is the molecular weight of 3P-718?
The molecular weight of 3P-718 is 418.08 g/mol.
Where can I buy 3P-718?
You can request a quote for 3P-718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3P-718?
Yes, KEHONG BIO provides custom synthesis services for 3P-718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.