D413-0238
TL;DR: D413-0238 (CAS 835906-80-4) is a chemical compound with molecular formula C25H19ClFN5O2 and molecular weight 475.12 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]-2-methoxybenzamide
Also Known As: D413-0238, N-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide, N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide, N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide, N-[5-(4-CHLOROPHENYL)-7-(4-FLUOROPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]-2-METHOXYBENZAMIDE
| Molecular Formula | C25H19ClFN5O2 |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 5.3875 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12112 |
| Heavy Atoms | 34 |
| Complexity | 1383.4487 |
Chemical Identifiers
| CAS Number | 835906-80-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NC2=NN3C(C=C(NC3=N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
D413-0238 (CAS 835906-80-4), with molecular formula C25H19ClFN5O2 and molecular weight 475.12 g/mol. IUPAC: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide.
Chemical Property Profile of D413-0238
Property Insights of D413-0238
The XLogP value of 5.3875 indicates that D413-0238 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for D413-0238. Following Lipinski's Rule of Five, D413-0238 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D413-0238?
The CAS number of D413-0238 is 835906-80-4.
What is the molecular formula of D413-0238?
The molecular formula of D413-0238 is C25H19ClFN5O2.
What is the molecular weight of D413-0238?
The molecular weight of D413-0238 is 475.12 g/mol.
Where can I buy D413-0238?
You can request a quote for D413-0238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D413-0238?
Yes, KEHONG BIO provides custom synthesis services for D413-0238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.