ChemDiv1_014245
TL;DR: ChemDiv1_014245 (CAS 393846-39-4) is a chemical compound with molecular formula C18H19ClN6O2 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
Also Known As: ChemDiv1_014245, BRD-K99102988-001-04-9, ethyl 4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate, ethyl 4-(1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate, ethyl 4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinecarboxylate
| Molecular Formula | C18H19ClN6O2 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1258 |
| Heavy Atoms | 27 |
| Complexity | 950.1452 |
Chemical Identifiers
| CAS Number | 393846-39-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_014245 (CAS 393846-39-4), with molecular formula C18H19ClN6O2 and molecular weight 386.13 g/mol. IUPAC: ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_014245
Property Insights of ChemDiv1_014245
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014245. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014245. Following Lipinski's Rule of Five, ChemDiv1_014245 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_014245?
The CAS number of ChemDiv1_014245 is 393846-39-4.
What is the molecular formula of ChemDiv1_014245?
The molecular formula of ChemDiv1_014245 is C18H19ClN6O2.
What is the molecular weight of ChemDiv1_014245?
The molecular weight of ChemDiv1_014245 is 386.13 g/mol.
Where can I buy ChemDiv1_014245?
You can request a quote for ChemDiv1_014245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014245?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.