C31H22ClFN6
TL;DR: C31H22ClFN6 (CAS 797795-76-7) is a chemical compound with molecular formula C31H22ClFN6 and molecular weight 532.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-15-methyl-13,17-diphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
Also Known As: N-(3-chloro-4-fluorophenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
| Molecular Formula | C31H22ClFN6 |
|---|---|
| Molecular Weight | 532.16 g/mol |
| LogP | 7.76852 |
| Topological Polar Surface Area | 57.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 532.15784 |
| Heavy Atoms | 39 |
| Complexity | 1778.13 |
Chemical Identifiers
| CAS Number | 797795-76-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC(=C(C=C5)F)Cl)C6=CC=CC=C6)C7=CC=CC=C7 |
Product Overview
C31H22ClFN6 (CAS 797795-76-7), with molecular formula C31H22ClFN6 and molecular weight 532.16 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-15-methyl-13,17-diphenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine.
Chemical Property Profile of C31H22ClFN6
Property Insights of C31H22ClFN6
The XLogP value of 7.76852 indicates that C31H22ClFN6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.81 Ų, C31H22ClFN6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H22ClFN6 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H22ClFN6?
The CAS number of C31H22ClFN6 is 797795-76-7.
What is the molecular formula of C31H22ClFN6?
The molecular formula of C31H22ClFN6 is C31H22ClFN6.
What is the molecular weight of C31H22ClFN6?
The molecular weight of C31H22ClFN6 is 532.16 g/mol.
Where can I buy C31H22ClFN6?
You can request a quote for C31H22ClFN6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H22ClFN6?
Yes, KEHONG BIO provides custom synthesis services for C31H22ClFN6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.