ChemDiv1_022058
TL;DR: ChemDiv1_022058 (CAS 327974-65-2) is a chemical compound with molecular formula C26H17ClN4O2 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenoxy)methyl]-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv1_022058, BAS 01024132, 2-[(4-chlorophenoxy)methyl]-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-((4-chlorophenoxy)methyl)-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 4-(4-CHLOROPHENOXYMETHYL)-11,12-DIPHENYL-10-OXA-3,5,6,8-TETRAAZATRICYCLO[7.3.0.0(2),?]DODECA-1(9),2,4,7,11-PENTAENE
| Molecular Formula | C26H17ClN4O2 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 6.4369 |
| Topological Polar Surface Area | 65.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.104 |
| Heavy Atoms | 33 |
| Complexity | 1559.1776 |
Chemical Identifiers
| CAS Number | 327974-65-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(OC3=C2C4=NC(=NN4C=N3)COC5=CC=C(C=C5)Cl)C6=CC=CC=C6 |
Product Overview
ChemDiv1_022058 (CAS 327974-65-2), with molecular formula C26H17ClN4O2 and molecular weight 452.10 g/mol. IUPAC: 4-[(4-chlorophenoxy)methyl]-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of ChemDiv1_022058
Property Insights of ChemDiv1_022058
The XLogP value of 6.4369 indicates that ChemDiv1_022058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022058. Following Lipinski's Rule of Five, ChemDiv1_022058 has 0 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 ChemDiv1_022058?
The CAS number of ChemDiv1_022058 is 327974-65-2.
What is the molecular formula of ChemDiv1_022058?
The molecular formula of ChemDiv1_022058 is C26H17ClN4O2.
What is the molecular weight of ChemDiv1_022058?
The molecular weight of ChemDiv1_022058 is 452.10 g/mol.
Where can I buy ChemDiv1_022058?
You can request a quote for ChemDiv1_022058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022058?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.