ChemDiv3_004759
TL;DR: ChemDiv3_004759 (CAS 499118-18-2) is a chemical compound with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]butanoic acid
Also Known As: ChemDiv3_004759, IDI1_022669, BRD-A07553050-001-01-5, 4-oxo-4-[(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]butanoic acid, 4-oxo-4-((5-oxo-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)butanoic acid
| Molecular Formula | C15H15N5O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 1.013 |
| Topological Polar Surface Area | 126.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1124 |
| Heavy Atoms | 24 |
| Complexity | 786.41705 |
Chemical Identifiers
| CAS Number | 499118-18-2 |
|---|---|
| SMILES | C1C(N2C(=NC(=N2)NC(=O)CCC(=O)O)NC1=O)C3=CC=CC=C3 |
Product Overview
ChemDiv3_004759 (CAS 499118-18-2), with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol. IUPAC: 4-oxo-4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]butanoic acid.
Chemical Property Profile of ChemDiv3_004759
Property Insights of ChemDiv3_004759
The XLogP value of 1.013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004759. The TPSA of 126.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004759. Following Lipinski's Rule of Five, ChemDiv3_004759 has 3 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_004759?
The CAS number of ChemDiv3_004759 is 499118-18-2.
What is the molecular formula of ChemDiv3_004759?
The molecular formula of ChemDiv3_004759 is C15H15N5O4.
What is the molecular weight of ChemDiv3_004759?
The molecular weight of ChemDiv3_004759 is 329.11 g/mol.
Where can I buy ChemDiv3_004759?
You can request a quote for ChemDiv3_004759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004759?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.