D413-0040
TL;DR: D413-0040 (CAS 835907-18-1) is a chemical compound with molecular formula C22H16ClN5O2 and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
Also Known As: D413-0040, N-(7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide, N-[7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide, N-[7-(4-chlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide, N-[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]FURAN-2-CARBOXAMIDE
| Molecular Formula | C22H16ClN5O2 |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 4.8328 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.09924 |
| Heavy Atoms | 30 |
| Complexity | 1214.4235 |
Chemical Identifiers
| CAS Number | 835907-18-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(N3C(=NC(=N3)NC(=O)C4=CC=CO4)N2)C5=CC=C(C=C5)Cl |
Product Overview
D413-0040 (CAS 835907-18-1), with molecular formula C22H16ClN5O2 and molecular weight 417.10 g/mol. IUPAC: N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide.
Chemical Property Profile of D413-0040
Property Insights of D413-0040
The XLogP value of 4.8328 indicates that D413-0040 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 D413-0040. Following Lipinski's Rule of Five, D413-0040 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 D413-0040?
The CAS number of D413-0040 is 835907-18-1.
What is the molecular formula of D413-0040?
The molecular formula of D413-0040 is C22H16ClN5O2.
What is the molecular weight of D413-0040?
The molecular weight of D413-0040 is 417.10 g/mol.
Where can I buy D413-0040?
You can request a quote for D413-0040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D413-0040?
Yes, KEHONG BIO provides custom synthesis services for D413-0040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.