RefChem:309771
TL;DR: RefChem:309771 (CAS 104964-71-8) is a chemical compound with molecular formula C21H25ClN8O3 and molecular weight 472.17 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]-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Also Known As: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-7-methyl-, hydrochloride, 2-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1), 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride, RefChem:309771
| Molecular Formula | C21H25ClN8O3 |
|---|---|
| Molecular Weight | 472.17 g/mol |
| LogP | 1.2865 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.17383 |
| Heavy Atoms | 33 |
| Complexity | 1215.8243 |
Chemical Identifiers
| CAS Number | 104964-71-8 |
|---|---|
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC.Cl |
Product Overview
RefChem:309771 (CAS 104964-71-8), with molecular formula C21H25ClN8O3 and molecular weight 472.17 g/mol. IUPAC: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
Chemical Property Profile of RefChem:309771
Property Insights of RefChem:309771
The XLogP value of 1.2865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:309771. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:309771. Following Lipinski's Rule of Five, RefChem:309771 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:309771?
The CAS number of RefChem:309771 is 104964-71-8.
What is the molecular formula of RefChem:309771?
The molecular formula of RefChem:309771 is C21H25ClN8O3.
What is the molecular weight of RefChem:309771?
The molecular weight of RefChem:309771 is 472.17 g/mol.
Where can I buy RefChem:309771?
You can request a quote for RefChem:309771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309771?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.