ChemDiv3_010878
TL;DR: ChemDiv3_010878 (CAS 866807-85-4) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
Also Known As: ChemDiv3_010878, IDI1_028436, 3-[(2,5-dimethylphenyl)sulfonyl]-N-(4-methylbenzyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine, 3-(2,5-DIMETHYLBENZENESULFONYL)-N-[(4-METHYLPHENYL)METHYL]-[1,2,3]TRIAZOLO[1,5-A]QUINAZOLIN-5-AMINE, F1604-0649
| Molecular Formula | C25H23N5O2S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.64766 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.15726 |
| Heavy Atoms | 33 |
| Complexity | 1606.0668 |
Chemical Identifiers
| CAS Number | 866807-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=C(C=CC(=C5)C)C |
Product Overview
ChemDiv3_010878 (CAS 866807-85-4), with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol. IUPAC: 3-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
Chemical Property Profile of ChemDiv3_010878
Property Insights of ChemDiv3_010878
The XLogP value of 4.64766 indicates that ChemDiv3_010878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010878. Following Lipinski's Rule of Five, ChemDiv3_010878 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_010878?
The CAS number of ChemDiv3_010878 is 866807-85-4.
What is the molecular formula of ChemDiv3_010878?
The molecular formula of ChemDiv3_010878 is C25H23N5O2S.
What is the molecular weight of ChemDiv3_010878?
The molecular weight of ChemDiv3_010878 is 457.16 g/mol.
Where can I buy ChemDiv3_010878?
You can request a quote for ChemDiv3_010878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010878?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.