ChemDiv3_010823
TL;DR: ChemDiv3_010823 (CAS 902956-30-3) is a chemical compound with molecular formula C26H23N5O3 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-(4-methoxyphenyl)propanamide
Also Known As: ChemDiv3_010823, IDI1_028381, 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-methoxyphenyl)propanamide, 3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-(4-methoxyphenyl)propanamide, 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-(4-methoxyphenyl)propanamide
| Molecular Formula | C26H23N5O3 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 3.6724 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.18008 |
| Heavy Atoms | 34 |
| Complexity | 1521.9757 |
Chemical Identifiers
| CAS Number | 902956-30-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 |
Product Overview
ChemDiv3_010823 (CAS 902956-30-3), with molecular formula C26H23N5O3 and molecular weight 453.18 g/mol. IUPAC: 3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-(4-methoxyphenyl)propanamide.
Chemical Property Profile of ChemDiv3_010823
Property Insights of ChemDiv3_010823
The XLogP value of 3.6724 indicates that ChemDiv3_010823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010823. Following Lipinski's Rule of Five, ChemDiv3_010823 has 1 hydrogen bond donor(s) and 5 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_010823?
The CAS number of ChemDiv3_010823 is 902956-30-3.
What is the molecular formula of ChemDiv3_010823?
The molecular formula of ChemDiv3_010823 is C26H23N5O3.
What is the molecular weight of ChemDiv3_010823?
The molecular weight of ChemDiv3_010823 is 453.18 g/mol.
Where can I buy ChemDiv3_010823?
You can request a quote for ChemDiv3_010823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010823?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.