ChemDiv2_004176
TL;DR: ChemDiv2_004176 (CAS 498570-03-9) is a chemical compound with molecular formula C22H17N5O2 and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
Also Known As: ChemDiv2_004176, IDI1_002891, BAS 04238126, N-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide, N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
| Molecular Formula | C22H17N5O2 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1382 |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 498570-03-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=C(NC3=NC(=NN23)NC(=O)C4=CC=CO4)C5=CC=CC=C5 |
| InChIKey | XJOXEHFVORAMRL-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004176 (CAS 498570-03-9), with molecular formula C22H17N5O2 and molecular weight 383.14 g/mol. IUPAC: N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
Chemical Property Profile of ChemDiv2_004176
Property Insights of ChemDiv2_004176
The XLogP value of 4.3 indicates that ChemDiv2_004176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004176. Following Lipinski's Rule of Five, ChemDiv2_004176 has 2 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_004176?
The CAS number of ChemDiv2_004176 is 498570-03-9.
What is the molecular formula of ChemDiv2_004176?
The molecular formula of ChemDiv2_004176 is C22H17N5O2.
What is the molecular weight of ChemDiv2_004176?
The molecular weight of ChemDiv2_004176 is 383.14 g/mol.
Where can I buy ChemDiv2_004176?
You can request a quote for ChemDiv2_004176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004176?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.