C18H12ClFN4O
TL;DR: C18H12ClFN4O (CAS 877808-79-2) is a chemical compound with molecular formula C18H12ClFN4O and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-11-(2-fluorophenyl)-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-7-(2-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C18H12ClFN4O |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.8892 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.06836 |
| Heavy Atoms | 25 |
| Complexity | 1029.4204 |
Chemical Identifiers
| CAS Number | 877808-79-2 |
|---|---|
| SMILES | C1C2=C(C3=C(O1)C=CC(=C3)Cl)NC4=NC=NN4C2C5=CC=CC=C5F |
Product Overview
C18H12ClFN4O (CAS 877808-79-2), with molecular formula C18H12ClFN4O and molecular weight 354.07 g/mol. IUPAC: 4-chloro-11-(2-fluorophenyl)-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 C18H12ClFN4O
Property Insights of C18H12ClFN4O
The XLogP value of 3.8892 indicates that C18H12ClFN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C18H12ClFN4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H12ClFN4O 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 C18H12ClFN4O?
The CAS number of C18H12ClFN4O is 877808-79-2.
What is the molecular formula of C18H12ClFN4O?
The molecular formula of C18H12ClFN4O is C18H12ClFN4O.
What is the molecular weight of C18H12ClFN4O?
The molecular weight of C18H12ClFN4O is 354.07 g/mol.
Where can I buy C18H12ClFN4O?
You can request a quote for C18H12ClFN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H12ClFN4O?
Yes, KEHONG BIO provides custom synthesis services for C18H12ClFN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.