RefChem:305828
TL;DR: RefChem:305828 (CAS 104964-59-2) is a chemical compound with molecular formula C22H27ClN8O3 and molecular weight 486.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;hydrochloride
Also Known As: 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-6-ethyl-, hydrochloride, 2-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one--hydrogen chloride (1/1), 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-7H-pyrrolo[3,4-d]pyrimidin-5-one hydrochloride, RefChem:305828
| Molecular Formula | C22H27ClN8O3 |
|---|---|
| Molecular Weight | 486.19 g/mol |
| LogP | 1.7433 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.18945 |
| Heavy Atoms | 34 |
| Complexity | 1232.4855 |
Chemical Identifiers
| CAS Number | 104964-59-2 |
|---|---|
| SMILES | CCN1CC2=NC(=NC=C2C1=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC.Cl |
Product Overview
RefChem:305828 (CAS 104964-59-2), with molecular formula C22H27ClN8O3 and molecular weight 486.19 g/mol. IUPAC: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;hydrochloride.
Chemical Property Profile of RefChem:305828
Property Insights of RefChem:305828
The XLogP value of 1.7433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305828. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305828. Following Lipinski's Rule of Five, RefChem:305828 has 1 hydrogen bond donor(s) and 10 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 RefChem:305828?
The CAS number of RefChem:305828 is 104964-59-2.
What is the molecular formula of RefChem:305828?
The molecular formula of RefChem:305828 is C22H27ClN8O3.
What is the molecular weight of RefChem:305828?
The molecular weight of RefChem:305828 is 486.19 g/mol.
Where can I buy RefChem:305828?
You can request a quote for RefChem:305828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.