C22H14ClFN4OS
TL;DR: C22H14ClFN4OS (CAS 799839-23-9) is a chemical compound with molecular formula C22H14ClFN4OS and molecular weight 436.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-9-(2-fluorophenyl)-11-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 2-chloro-6-(2-fluorophenyl)-7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 2-chloro-6-(2-fluorophenyl)-7-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C22H14ClFN4OS |
|---|---|
| Molecular Weight | 436.06 g/mol |
| LogP | 5.692 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.0561 |
| Heavy Atoms | 30 |
| Complexity | 1300.232 |
Chemical Identifiers
| CAS Number | 799839-23-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C3=C(C4=C(O2)C=CC(=C4)Cl)NC5=NC=NN5C3C6=CC=CS6)F |
Product Overview
C22H14ClFN4OS (CAS 799839-23-9), with molecular formula C22H14ClFN4OS and molecular weight 436.06 g/mol. IUPAC: 4-chloro-9-(2-fluorophenyl)-11-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C22H14ClFN4OS
Property Insights of C22H14ClFN4OS
The XLogP value of 5.692 indicates that C22H14ClFN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C22H14ClFN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H14ClFN4OS 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 C22H14ClFN4OS?
The CAS number of C22H14ClFN4OS is 799839-23-9.
What is the molecular formula of C22H14ClFN4OS?
The molecular formula of C22H14ClFN4OS is C22H14ClFN4OS.
What is the molecular weight of C22H14ClFN4OS?
The molecular weight of C22H14ClFN4OS is 436.06 g/mol.
Where can I buy C22H14ClFN4OS?
You can request a quote for C22H14ClFN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H14ClFN4OS?
Yes, KEHONG BIO provides custom synthesis services for C22H14ClFN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.