C25H18BrFN4O2
TL;DR: C25H18BrFN4O2 (CAS 835907-97-6) is a chemical compound with molecular formula C25H18BrFN4O2 and molecular weight 504.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(5-bromo-2-methoxyphenyl)-11-(4-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: 6-(5-bromo-2-methoxyphenyl)-7-(4-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C25H18BrFN4O2 |
|---|---|
| Molecular Weight | 504.06 g/mol |
| LogP | 5.7482 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.05972 |
| Heavy Atoms | 33 |
| Complexity | 1399.7997 |
Chemical Identifiers
| CAS Number | 835907-97-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C2C3=C(C4=CC=CC=C4O2)NC5=NC=NN5C3C6=CC=C(C=C6)F |
Product Overview
C25H18BrFN4O2 (CAS 835907-97-6), with molecular formula C25H18BrFN4O2 and molecular weight 504.06 g/mol. IUPAC: 9-(5-bromo-2-methoxyphenyl)-11-(4-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 C25H18BrFN4O2
Property Insights of C25H18BrFN4O2
The XLogP value of 5.7482 indicates that C25H18BrFN4O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H18BrFN4O2. Following Lipinski's Rule of Five, C25H18BrFN4O2 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 C25H18BrFN4O2?
The CAS number of C25H18BrFN4O2 is 835907-97-6.
What is the molecular formula of C25H18BrFN4O2?
The molecular formula of C25H18BrFN4O2 is C25H18BrFN4O2.
What is the molecular weight of C25H18BrFN4O2?
The molecular weight of C25H18BrFN4O2 is 504.06 g/mol.
Where can I buy C25H18BrFN4O2?
You can request a quote for C25H18BrFN4O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H18BrFN4O2?
Yes, KEHONG BIO provides custom synthesis services for C25H18BrFN4O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.