C25H14Cl2FN5O
TL;DR: C25H14Cl2FN5O (CAS 836626-46-1) is a chemical compound with molecular formula C25H14Cl2FN5O and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3-chloro-4-fluorophenyl)-13-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 11-(3-chloro-4-fluorophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(4-chlorobenzyl)-11-(3-chloro-4-fluorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C25H14Cl2FN5O |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 5.7778 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.05594 |
| Heavy Atoms | 34 |
| Complexity | 1794.2334 |
Chemical Identifiers
| CAS Number | 836626-46-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3C4=C(N=CN(C4=O)CC5=CC=C(C=C5)Cl)N(C3=N2)C6=CC(=C(C=C6)F)Cl |
Product Overview
C25H14Cl2FN5O (CAS 836626-46-1), with molecular formula C25H14Cl2FN5O and molecular weight 489.06 g/mol. IUPAC: 17-(3-chloro-4-fluorophenyl)-13-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of C25H14Cl2FN5O
Property Insights of C25H14Cl2FN5O
The XLogP value of 5.7778 indicates that C25H14Cl2FN5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H14Cl2FN5O. Following Lipinski's Rule of Five, C25H14Cl2FN5O has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H14Cl2FN5O?
The CAS number of C25H14Cl2FN5O is 836626-46-1.
What is the molecular formula of C25H14Cl2FN5O?
The molecular formula of C25H14Cl2FN5O is C25H14Cl2FN5O.
What is the molecular weight of C25H14Cl2FN5O?
The molecular weight of C25H14Cl2FN5O is 489.06 g/mol.
Where can I buy C25H14Cl2FN5O?
You can request a quote for C25H14Cl2FN5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H14Cl2FN5O?
Yes, KEHONG BIO provides custom synthesis services for C25H14Cl2FN5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.