ChemDiv1_014251
TL;DR: ChemDiv1_014251 (CAS 393822-89-4) is a chemical compound with molecular formula C22H23N5O3 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: ChemDiv1_014251, 1-(2,4-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, BRD-K80629739-001-01-0, [1-(2,4-dimethylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl](3,4,5-trimethoxyphenyl)a mine, 1-(2,4-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
| Molecular Formula | C22H23N5O3 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 4.20174 |
| Topological Polar Surface Area | 83.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.18008 |
| Heavy Atoms | 30 |
| Complexity | 1193.8453 |
Chemical Identifiers
| CAS Number | 393822-89-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=C(C(=C4)OC)OC)OC)C |
Product Overview
ChemDiv1_014251 (CAS 393822-89-4), with molecular formula C22H23N5O3 and molecular weight 405.18 g/mol. IUPAC: 1-(2,4-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of ChemDiv1_014251
Property Insights of ChemDiv1_014251
The XLogP value of 4.20174 indicates that ChemDiv1_014251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014251. Following Lipinski's Rule of Five, ChemDiv1_014251 has 1 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_014251?
The CAS number of ChemDiv1_014251 is 393822-89-4.
What is the molecular formula of ChemDiv1_014251?
The molecular formula of ChemDiv1_014251 is C22H23N5O3.
What is the molecular weight of ChemDiv1_014251?
The molecular weight of ChemDiv1_014251 is 405.18 g/mol.
Where can I buy ChemDiv1_014251?
You can request a quote for ChemDiv1_014251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014251?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.