RefChem:304771
TL;DR: RefChem:304771 (CAS 104965-40-4) is a chemical compound with molecular formula C23H32ClN9O3 and molecular weight 517.23 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]-N-ethyl-4-(ethylamino)pyrimidine-5-carboxamide;hydrochloride
Also Known As: 5-Pyrimidinecarboxamide, 2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-N-ethyl-4-(ethylamino)-, hydrochloride, 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-N-ethyl-4-(ethylamino)pyrimidine-5-carboxamide hydrochloride, 2-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-N-ethyl-4-(ethylamino)pyrimidine-5-carboxamide--hydrogen chloride (1/1), RefChem:304771
| Molecular Formula | C23H32ClN9O3 |
|---|---|
| Molecular Weight | 517.23 g/mol |
| LogP | 1.9491 |
| Topological Polar Surface Area | 143.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.2317 |
| Heavy Atoms | 36 |
| Complexity | 1219.144 |
Chemical Identifiers
| CAS Number | 104965-40-4 |
|---|---|
| SMILES | CCNC1=NC(=NC=C1C(=O)NCC)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl |
Product Overview
RefChem:304771 (CAS 104965-40-4), with molecular formula C23H32ClN9O3 and molecular weight 517.23 g/mol. IUPAC: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-N-ethyl-4-(ethylamino)pyrimidine-5-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:304771
Property Insights of RefChem:304771
The XLogP value of 1.9491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304771. The TPSA of 143.65 Ų indicates high polarity, suggesting RefChem:304771 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:304771 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:304771?
The CAS number of RefChem:304771 is 104965-40-4.
What is the molecular formula of RefChem:304771?
The molecular formula of RefChem:304771 is C23H32ClN9O3.
What is the molecular weight of RefChem:304771?
The molecular weight of RefChem:304771 is 517.23 g/mol.
Where can I buy RefChem:304771?
You can request a quote for RefChem:304771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304771?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.