ChemDiv1_018884
TL;DR: ChemDiv1_018884 (CAS 313232-43-8) is a chemical compound with molecular formula C21H18BrN3 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-3-phenyl-1,4,5-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: ChemDiv1_018884, DivK1c_003668, CDS1_002628, 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydro-2,2a,4a-triazacyclopenta[cd]azulene
| Molecular Formula | C21H18BrN3 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 5.5686 |
| Topological Polar Surface Area | 22.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.06842 |
| Heavy Atoms | 25 |
| Complexity | 1042.3871 |
Chemical Identifiers
| CAS Number | 313232-43-8 |
|---|---|
| SMILES | C1CCN2C=C(N3C2=C(C1)C(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
ChemDiv1_018884 (CAS 313232-43-8), with molecular formula C21H18BrN3 and molecular weight 391.07 g/mol. IUPAC: 6-(4-bromophenyl)-3-phenyl-1,4,5-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
Chemical Property Profile of ChemDiv1_018884
Property Insights of ChemDiv1_018884
The XLogP value of 5.5686 indicates that ChemDiv1_018884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.23 Ų, ChemDiv1_018884 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_018884 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018884?
The CAS number of ChemDiv1_018884 is 313232-43-8.
What is the molecular formula of ChemDiv1_018884?
The molecular formula of ChemDiv1_018884 is C21H18BrN3.
What is the molecular weight of ChemDiv1_018884?
The molecular weight of ChemDiv1_018884 is 391.07 g/mol.
Where can I buy ChemDiv1_018884?
You can request a quote for ChemDiv1_018884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018884?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.