D413-0240
TL;DR: D413-0240 (CAS 835908-68-4) is a chemical compound with molecular formula C24H16ClFN6O3 and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Also Known As: D413-0240, N-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide, N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide, N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide, N-[5-(4-CHLOROPHENYL)-7-(4-FLUOROPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]-4-NITROBENZAMIDE
| Molecular Formula | C24H16ClFN6O3 |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 5.2871 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.09564 |
| Heavy Atoms | 35 |
| Complexity | 1450.3751 |
Chemical Identifiers
| CAS Number | 835908-68-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C=C(NC3=NC(=NN23)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)F |
Product Overview
D413-0240 (CAS 835908-68-4), with molecular formula C24H16ClFN6O3 and molecular weight 490.10 g/mol. IUPAC: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide.
Chemical Property Profile of D413-0240
Property Insights of D413-0240
The XLogP value of 5.2871 indicates that D413-0240 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for D413-0240. Following Lipinski's Rule of Five, D413-0240 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D413-0240?
The CAS number of D413-0240 is 835908-68-4.
What is the molecular formula of D413-0240?
The molecular formula of D413-0240 is C24H16ClFN6O3.
What is the molecular weight of D413-0240?
The molecular weight of D413-0240 is 490.10 g/mol.
Where can I buy D413-0240?
You can request a quote for D413-0240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D413-0240?
Yes, KEHONG BIO provides custom synthesis services for D413-0240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.