D413-0250
TL;DR: D413-0250 (CAS 836645-02-4) is a chemical compound with molecular formula C22H15ClFN5O2 and molecular weight 435.09 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]furan-2-carboxamide
Also Known As: D413-0250, N-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide, N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide, N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide, N-[5-(4-CHLOROPHENYL)-7-(4-FLUOROPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]FURAN-2-CARBOXAMIDE
| Molecular Formula | C22H15ClFN5O2 |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 4.9719 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.08984 |
| Heavy Atoms | 31 |
| Complexity | 1264.4957 |
Chemical Identifiers
| CAS Number | 836645-02-4 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)NC2=NN3C(C=C(NC3=N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
D413-0250 (CAS 836645-02-4), with molecular formula C22H15ClFN5O2 and molecular weight 435.09 g/mol. IUPAC: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide.
Chemical Property Profile of D413-0250
Property Insights of D413-0250
The XLogP value of 4.9719 indicates that D413-0250 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.98 Ų falls within the moderate polarity range, balancing permeability and solubility for D413-0250. Following Lipinski's Rule of Five, D413-0250 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 D413-0250?
The CAS number of D413-0250 is 836645-02-4.
What is the molecular formula of D413-0250?
The molecular formula of D413-0250 is C22H15ClFN5O2.
What is the molecular weight of D413-0250?
The molecular weight of D413-0250 is 435.09 g/mol.
Where can I buy D413-0250?
You can request a quote for D413-0250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D413-0250?
Yes, KEHONG BIO provides custom synthesis services for D413-0250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.