RefChem:304849
TL;DR: RefChem:304849 (CAS 104965-33-5) is a chemical compound with molecular formula C23H31ClN8O4 and molecular weight 518.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylate;hydrochloride
Also Known As: 5-Pyrimidinecarboxylic acid, 2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-4-((1-methylethyl)amino)-, methyl ester, hydrochloride, methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylate hydrochloride, Methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-[(propan-2-yl)amino]pyrimidine-5-carboxylate--hydrogen chloride (1/1), RefChem:304849
| Molecular Formula | C23H31ClN8O4 |
|---|---|
| Molecular Weight | 518.22 g/mol |
| LogP | 2.3745 |
| Topological Polar Surface Area | 140.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.2157 |
| Heavy Atoms | 36 |
| Complexity | 1234.4495 |
Chemical Identifiers
| CAS Number | 104965-33-5 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl |
Product Overview
RefChem:304849 (CAS 104965-33-5), with molecular formula C23H31ClN8O4 and molecular weight 518.22 g/mol. IUPAC: methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:304849
Property Insights of RefChem:304849
The XLogP value of 2.3745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304849. The TPSA of 140.85 Ų indicates high polarity, suggesting RefChem:304849 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:304849 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:304849?
The CAS number of RefChem:304849 is 104965-33-5.
What is the molecular formula of RefChem:304849?
The molecular formula of RefChem:304849 is C23H31ClN8O4.
What is the molecular weight of RefChem:304849?
The molecular weight of RefChem:304849 is 518.22 g/mol.
Where can I buy RefChem:304849?
You can request a quote for RefChem:304849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304849?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.