ChemDiv1_022331
TL;DR: ChemDiv1_022331 (CAS 397266-40-9) is a chemical compound with molecular formula C29H24BrClN4O2 and molecular weight 574.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-N-(4-chlorophenyl)-6-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: ChemDiv1_022331, A2649/0112856, F0784-0246, 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide, 2-(4-bromophenyl)-N-(4-chlorophenyl)-6-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carboxamide
| Molecular Formula | C29H24BrClN4O2 |
|---|---|
| Molecular Weight | 574.08 g/mol |
| LogP | 7.4829 |
| Topological Polar Surface Area | 60.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 574.07715 |
| Heavy Atoms | 37 |
| Complexity | 1603.7432 |
Chemical Identifiers
| CAS Number | 397266-40-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)Br)C(=O)NC6=CC=C(C=C6)Cl |
Product Overview
ChemDiv1_022331 (CAS 397266-40-9), with molecular formula C29H24BrClN4O2 and molecular weight 574.08 g/mol. IUPAC: 2-(4-bromophenyl)-N-(4-chlorophenyl)-6-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of ChemDiv1_022331
Property Insights of ChemDiv1_022331
The XLogP value of 7.4829 indicates that ChemDiv1_022331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022331. Following Lipinski's Rule of Five, ChemDiv1_022331 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022331?
The CAS number of ChemDiv1_022331 is 397266-40-9.
What is the molecular formula of ChemDiv1_022331?
The molecular formula of ChemDiv1_022331 is C29H24BrClN4O2.
What is the molecular weight of ChemDiv1_022331?
The molecular weight of ChemDiv1_022331 is 574.08 g/mol.
Where can I buy ChemDiv1_022331?
You can request a quote for ChemDiv1_022331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022331?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.