ChemDiv1_014289
TL;DR: ChemDiv1_014289 (CAS 393846-41-8) is a chemical compound with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
Also Known As: ChemDiv1_014289, ethyl 4-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate, ethyl 4-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate, ethyl 4-(1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
| Molecular Formula | C19H22N6O3 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.17532 |
| Heavy Atoms | 28 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 393846-41-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC |
| InChIKey | JRYBFEGKVUDFPO-UHFFFAOYSA-N |
Product Overview
ChemDiv1_014289 (CAS 393846-41-8), with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol. IUPAC: ethyl 4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_014289
Property Insights of ChemDiv1_014289
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014289. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014289. Following Lipinski's Rule of Five, ChemDiv1_014289 has 0 hydrogen bond donor(s) and 7 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_014289?
The CAS number of ChemDiv1_014289 is 393846-41-8.
What is the molecular formula of ChemDiv1_014289?
The molecular formula of ChemDiv1_014289 is C19H22N6O3.
What is the molecular weight of ChemDiv1_014289?
The molecular weight of ChemDiv1_014289 is 382.18 g/mol.
Where can I buy ChemDiv1_014289?
You can request a quote for ChemDiv1_014289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014289?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.