ChemDiv3_010867
TL;DR: ChemDiv3_010867 (CAS 902956-72-3) is a chemical compound with molecular formula C22H23N5O2 and molecular weight 389.19 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-propan-2-ylpropanamide
Also Known As: ChemDiv3_010867, IDI1_028425, 3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-propan-2-ylpropanamide, 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(propan-2-yl)propanamide
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.19 g/mol |
| LogP | 2.5497 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 1224.6525 |
Chemical Identifiers
| CAS Number | 902956-72-3 |
|---|---|
| SMILES | CC(C)NC(=O)CCC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 |
Product Overview
ChemDiv3_010867 (CAS 902956-72-3), with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol. IUPAC: 3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-propan-2-ylpropanamide.
Chemical Property Profile of ChemDiv3_010867
Property Insights of ChemDiv3_010867
The XLogP value of 2.5497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010867. The TPSA of 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010867. Following Lipinski's Rule of Five, ChemDiv3_010867 has 1 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 ChemDiv3_010867?
The CAS number of ChemDiv3_010867 is 902956-72-3.
What is the molecular formula of ChemDiv3_010867?
The molecular formula of ChemDiv3_010867 is C22H23N5O2.
What is the molecular weight of ChemDiv3_010867?
The molecular weight of ChemDiv3_010867 is 389.19 g/mol.
Where can I buy ChemDiv3_010867?
You can request a quote for ChemDiv3_010867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010867?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.