D413-0213
TL;DR: D413-0213 (CAS 840457-41-2) is a chemical compound with molecular formula C23H17ClFN5O2S and molecular weight 481.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
Also Known As: D413-0213, 4-chloro-N-(7-(4-fluorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide, 4-chloro-N-[7-(4-fluorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide, 4-chloro-N-[7-(4-fluorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide, 4-CHLORO-N-[7-(4-FLUOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]BENZENE-1-SULFONAMIDE
| Molecular Formula | C23H17ClFN5O2S |
|---|---|
| Molecular Weight | 481.08 g/mol |
| LogP | 4.9274 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.07755 |
| Heavy Atoms | 33 |
| Complexity | 1436.7223 |
Chemical Identifiers
| CAS Number | 840457-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(N3C(=NC(=N3)NS(=O)(=O)C4=CC=C(C=C4)Cl)N2)C5=CC=C(C=C5)F |
Product Overview
D413-0213 (CAS 840457-41-2), with molecular formula C23H17ClFN5O2S and molecular weight 481.08 g/mol. IUPAC: 4-chloro-N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide.
Chemical Property Profile of D413-0213
Property Insights of D413-0213
The XLogP value of 4.9274 indicates that D413-0213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for D413-0213. Following Lipinski's Rule of Five, D413-0213 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 D413-0213?
The CAS number of D413-0213 is 840457-41-2.
What is the molecular formula of D413-0213?
The molecular formula of D413-0213 is C23H17ClFN5O2S.
What is the molecular weight of D413-0213?
The molecular weight of D413-0213 is 481.08 g/mol.
Where can I buy D413-0213?
You can request a quote for D413-0213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D413-0213?
Yes, KEHONG BIO provides custom synthesis services for D413-0213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.