RefChem:304850
TL;DR: RefChem:304850 (CAS 104964-21-8) is a chemical compound with molecular formula C22H29ClN8O4 and molecular weight 504.20004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(ethylamino)pyrimidine-5-carboxylate;hydrochloride
Also Known As: 5-Pyrimidinecarboxylic acid, 2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-4-(ethylamino)-, methyl ester, hydrochloride, methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(ethylamino)pyrimidine-5-carboxylate hydrochloride, Methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(ethylamino)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C22H29ClN8O4 |
| Molecular Weight | 504.20004 g/mol |
| XLogP | 1.986 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.20004 Da |
| Heavy Atoms | 35 |
| Complexity | 667.0 |
| SMILES | CCNC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl |
| InChIKey | FTFRFLCXIYMYTJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:304850
Property Insights of RefChem:304850
The XLogP value of 1.986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304850. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:304850 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:304850 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:304850?
The CAS number of RefChem:304850 is 104964-21-8.
What is the molecular formula of RefChem:304850?
The molecular formula of RefChem:304850 is C22H29ClN8O4.
What is the molecular weight of RefChem:304850?
The molecular weight of RefChem:304850 is 504.20004 g/mol.
Where can I buy RefChem:304850?
You can request a quote for RefChem:304850 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:304850?
Yes, CoreyChem provides custom synthesis services for RefChem:304850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.