ChemDiv2_007716
TL;DR: ChemDiv2_007716 (CAS 852450-10-3) is a chemical compound with molecular formula C17H17ClN4O3 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]butanoate
Also Known As: ChemDiv2_007716, IDI1_006431, ethyl 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate, ethyl 2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]butanoate, ethyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate
| Molecular Formula | C17H17ClN4O3 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 2.7498 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.0989 |
| Heavy Atoms | 25 |
| Complexity | 962.1786 |
Chemical Identifiers
| CAS Number | 852450-10-3 |
|---|---|
| SMILES | CCC(C(=O)OCC)N1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv2_007716 (CAS 852450-10-3), with molecular formula C17H17ClN4O3 and molecular weight 360.10 g/mol. IUPAC: ethyl 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]butanoate.
Chemical Property Profile of ChemDiv2_007716
Property Insights of ChemDiv2_007716
The XLogP value of 2.7498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007716. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007716. Following Lipinski's Rule of Five, ChemDiv2_007716 has 0 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 ChemDiv2_007716?
The CAS number of ChemDiv2_007716 is 852450-10-3.
What is the molecular formula of ChemDiv2_007716?
The molecular formula of ChemDiv2_007716 is C17H17ClN4O3.
What is the molecular weight of ChemDiv2_007716?
The molecular weight of ChemDiv2_007716 is 360.10 g/mol.
Where can I buy ChemDiv2_007716?
You can request a quote for ChemDiv2_007716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007716?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.