N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid
TL;DR: N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid (CAS 18921-68-1) 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.
(2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: Deazaminopterin, Deazaaminopterin, DEAZA-AMINOPTERIN, 5,8-Dideazaaminopterin, NCS 529860
| Molecular Formula | C21H22N6O5 |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.16516 |
| Heavy Atoms | 32 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 18921-68-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N |
| InChIKey | IOLLERXPKZGYRA-INIZCTEOSA-N |
Product Overview
N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid (CAS 18921-68-1), with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid
Property Insights of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid. The TPSA of 194.0 Ų indicates high polarity, suggesting N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid 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 N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid?
The CAS number of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid is 18921-68-1.
What is the molecular formula of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid?
The molecular formula of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid is C21H22N6O5.
What is the molecular weight of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid?
The molecular weight of N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid is 438.17 g/mol.
Where can I buy N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid?
You can request a quote for N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.