Methasquin
TL;DR: Methasquin (CAS 18921-70-5) is a chemical compound with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Also Known As: Methasquin, SK 29836, N-(p-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid, L-Aspartic acid, N-[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]-, L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-,
| Molecular Formula | C21H22N6O5 |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.16516 |
| Heavy Atoms | 32 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 18921-70-5 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | NTKNUVXCGJPJQP-UHFFFAOYSA-N |
Product Overview
Methasquin (CAS 18921-70-5), with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol. IUPAC: 2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid.
Chemical Property Profile of Methasquin
Property Insights of Methasquin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methasquin. The TPSA of 194.0 Ų indicates high polarity, suggesting Methasquin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methasquin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methasquin?
The CAS number of Methasquin is 18921-70-5.
What is the molecular formula of Methasquin?
The molecular formula of Methasquin is C21H22N6O5.
What is the molecular weight of Methasquin?
The molecular weight of Methasquin is 438.17 g/mol.
Where can I buy Methasquin?
You can request a quote for Methasquin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methasquin?
Yes, KEHONG BIO provides custom synthesis services for Methasquin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.