![dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate structure](/static/products/3937/393786-64-6.webp)
dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate
TL;DR: dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate (CAS 393786-64-6) is a chemical compound with molecular formula C21H17N5O4 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
Also Known As: ChemDiv1_014406, BRD-K96149110-001-02-8, dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate, dimethyl 5-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate, dimethyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
| Molecular Formula | C21H17N5O4 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 3.1323 |
| Topological Polar Surface Area | 108.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12805 |
| Heavy Atoms | 30 |
| Complexity | 1202.6243 |
Chemical Identifiers
| CAS Number | 393786-64-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4)C(=O)OC |
Product Overview
dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate (CAS 393786-64-6), with molecular formula C21H17N5O4 and molecular weight 403.13 g/mol. IUPAC: dimethyl 5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate
Property Insights of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate
The XLogP value of 3.1323 indicates that dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.23 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate has 1 hydrogen bond donor(s) and 8 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 dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate?
The CAS number of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate is 393786-64-6.
What is the molecular formula of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate?
The molecular formula of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate is C21H17N5O4.
What is the molecular weight of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate?
The molecular weight of dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate is 403.13 g/mol.
Where can I buy dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate?
You can request a quote for dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.