ChemDiv1_014092
TL;DR: ChemDiv1_014092 (CAS 393784-63-9) is a chemical compound with molecular formula C21H20ClN5O2 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: ChemDiv1_014092, 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine, 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, BRD-K87047426-001-01-6
| Molecular Formula | C21H20ClN5O2 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.1407 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.13055 |
| Heavy Atoms | 29 |
| Complexity | 1127.8368 |
Chemical Identifiers
| CAS Number | 393784-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C3C=NN(C3=NC=N2)C4=CC=C(C=C4)Cl)OC |
Product Overview
ChemDiv1_014092 (CAS 393784-63-9), with molecular formula C21H20ClN5O2 and molecular weight 409.13 g/mol. IUPAC: 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of ChemDiv1_014092
Property Insights of ChemDiv1_014092
The XLogP value of 4.1407 indicates that ChemDiv1_014092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014092. Following Lipinski's Rule of Five, ChemDiv1_014092 has 1 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_014092?
The CAS number of ChemDiv1_014092 is 393784-63-9.
What is the molecular formula of ChemDiv1_014092?
The molecular formula of ChemDiv1_014092 is C21H20ClN5O2.
What is the molecular weight of ChemDiv1_014092?
The molecular weight of ChemDiv1_014092 is 409.13 g/mol.
Where can I buy ChemDiv1_014092?
You can request a quote for ChemDiv1_014092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014092?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.