ChemDiv1_016405
TL;DR: ChemDiv1_016405 (CAS 352449-55-9) is a chemical compound with molecular formula C25H18ClFN4O and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-9-(4-fluorophenyl)-11-(4-methylphenyl)-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: ChemDiv1_016405, 2-chloro-6-(4-fluorophenyl)-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 2-chloro-6-(4-fluorophenyl)-7-(p-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C25H18ClFN4O |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 5.93892 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.11533 |
| Heavy Atoms | 32 |
| Complexity | 1361.7197 |
Chemical Identifiers
| CAS Number | 352449-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC=C(C=C5)F)NC6=NC=NN26 |
Product Overview
ChemDiv1_016405 (CAS 352449-55-9), with molecular formula C25H18ClFN4O and molecular weight 444.12 g/mol. IUPAC: 4-chloro-9-(4-fluorophenyl)-11-(4-methylphenyl)-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 ChemDiv1_016405
Property Insights of ChemDiv1_016405
The XLogP value of 5.93892 indicates that ChemDiv1_016405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, ChemDiv1_016405 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_016405 has 1 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 ChemDiv1_016405?
The CAS number of ChemDiv1_016405 is 352449-55-9.
What is the molecular formula of ChemDiv1_016405?
The molecular formula of ChemDiv1_016405 is C25H18ClFN4O.
What is the molecular weight of ChemDiv1_016405?
The molecular weight of ChemDiv1_016405 is 444.12 g/mol.
Where can I buy ChemDiv1_016405?
You can request a quote for ChemDiv1_016405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016405?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.