ChemDiv2_004088
TL;DR: ChemDiv2_004088 (CAS 496798-30-2) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid
Also Known As: ChemDiv2_004088, IDI1_002803, AE-848/41150784, 4-[(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid, 4-((5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 3.1374 |
| Topological Polar Surface Area | 109.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1060.4353 |
Chemical Identifiers
| CAS Number | 496798-30-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=C(NC3=NC(=NN23)NC(=O)CCC(=O)O)C4=CC=CC=C4 |
Product Overview
ChemDiv2_004088 (CAS 496798-30-2), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: 4-[(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv2_004088
Property Insights of ChemDiv2_004088
The XLogP value of 3.1374 indicates that ChemDiv2_004088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004088. Following Lipinski's Rule of Five, ChemDiv2_004088 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 ChemDiv2_004088?
The CAS number of ChemDiv2_004088 is 496798-30-2.
What is the molecular formula of ChemDiv2_004088?
The molecular formula of ChemDiv2_004088 is C21H19N5O3.
What is the molecular weight of ChemDiv2_004088?
The molecular weight of ChemDiv2_004088 is 389.15 g/mol.
Where can I buy ChemDiv2_004088?
You can request a quote for ChemDiv2_004088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004088?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.