ChemDiv3_010936
TL;DR: ChemDiv3_010936 (CAS 852440-08-5) is a chemical compound with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
Also Known As: ChemDiv3_010936, IDI1_028494, BRD-K52401653-001-01-0, F0679-0027, N-(4-ethylphenyl)-2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
| Molecular Formula | C21H19N5O2 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.7833 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.15387 |
| Heavy Atoms | 28 |
| Complexity | 1177.128 |
Chemical Identifiers
| CAS Number | 852440-08-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4 |
Product Overview
ChemDiv3_010936 (CAS 852440-08-5), with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol. IUPAC: N-(4-ethylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
Chemical Property Profile of ChemDiv3_010936
Property Insights of ChemDiv3_010936
The XLogP value of 2.7833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010936. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010936. Following Lipinski's Rule of Five, ChemDiv3_010936 has 1 hydrogen bond donor(s) and 4 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 ChemDiv3_010936?
The CAS number of ChemDiv3_010936 is 852440-08-5.
What is the molecular formula of ChemDiv3_010936?
The molecular formula of ChemDiv3_010936 is C21H19N5O2.
What is the molecular weight of ChemDiv3_010936?
The molecular weight of ChemDiv3_010936 is 373.15 g/mol.
Where can I buy ChemDiv3_010936?
You can request a quote for ChemDiv3_010936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010936?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.