ChemDiv3_010779
TL;DR: ChemDiv3_010779 (CAS 902955-74-2) is a chemical compound with molecular formula C25H26N6O3 and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanoyl]piperidine-4-carboxamide
Also Known As: ChemDiv3_010779, IDI1_028337, 1-[3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanoyl]piperidine-4-carboxamide, 1-(3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanoyl)piperidine-4-carboxamide
| Molecular Formula | C25H26N6O3 |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 1.749 |
| Topological Polar Surface Area | 115.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.20663 |
| Heavy Atoms | 34 |
| Complexity | 1417.3916 |
Chemical Identifiers
| CAS Number | 902955-74-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)CCC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5 |
Product Overview
ChemDiv3_010779 (CAS 902955-74-2), with molecular formula C25H26N6O3 and molecular weight 458.21 g/mol. IUPAC: 1-[3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanoyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv3_010779
Property Insights of ChemDiv3_010779
The XLogP value of 1.749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010779. The TPSA of 115.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010779. Following Lipinski's Rule of Five, ChemDiv3_010779 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_010779?
The CAS number of ChemDiv3_010779 is 902955-74-2.
What is the molecular formula of ChemDiv3_010779?
The molecular formula of ChemDiv3_010779 is C25H26N6O3.
What is the molecular weight of ChemDiv3_010779?
The molecular weight of ChemDiv3_010779 is 458.21 g/mol.
Where can I buy ChemDiv3_010779?
You can request a quote for ChemDiv3_010779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010779?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.