ChemDiv1_004991
TL;DR: ChemDiv1_004991 (CAS 441289-81-2) is a chemical compound with molecular formula C20H18BrN5O and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: ChemDiv1_004991, 7-(4-bromophenyl)-5-methyl-N-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, F0497-0086, 7-(4-bromophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 7-(4-bromophenyl)-5-methyl-N-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C20H18BrN5O |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 4.27662 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.06946 |
| Heavy Atoms | 27 |
| Complexity | 1021.28546 |
Chemical Identifiers
| CAS Number | 441289-81-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC3=NC=NN3C2C4=CC=C(C=C4)Br)C |
Product Overview
ChemDiv1_004991 (CAS 441289-81-2), with molecular formula C20H18BrN5O and molecular weight 423.07 g/mol. IUPAC: 7-(4-bromophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of ChemDiv1_004991
Property Insights of ChemDiv1_004991
The XLogP value of 4.27662 indicates that ChemDiv1_004991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004991. Following Lipinski's Rule of Five, ChemDiv1_004991 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004991?
The CAS number of ChemDiv1_004991 is 441289-81-2.
What is the molecular formula of ChemDiv1_004991?
The molecular formula of ChemDiv1_004991 is C20H18BrN5O.
What is the molecular weight of ChemDiv1_004991?
The molecular weight of ChemDiv1_004991 is 423.07 g/mol.
Where can I buy ChemDiv1_004991?
You can request a quote for ChemDiv1_004991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004991?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.