gamma-Tetrazole-aminopterin
TL;DR: gamma-Tetrazole-aminopterin (CAS 127134-21-8) is a chemical compound with molecular formula C19H20N12O3 and molecular weight 464.17813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
Also Known As: Tetrazole-aminopterin, gamma-Tetrazole-aminopterin, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid, (S)-alpha-((4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)amino)-1H-tetrazole-5-butanoic acid, (2S)-2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl]amino}benzamido)-4-(2H-tetrazol-5-yl)butanoic acid
Technical Specifications
| Molecular Formula | C19H20N12O3 |
| Molecular Weight | 464.17813 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.17813 Da |
| Heavy Atoms | 34 |
| Complexity | 693.0 |
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC2=NNN=N2)C(=O)O)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N |
| InChIKey | IMRSBQGLWIOFSP-LBPRGKRZSA-N |
Chemical Property Profile of gamma-Tetrazole-aminopterin
Property Insights of gamma-Tetrazole-aminopterin
The XLogP value of -1.9 indicates that gamma-Tetrazole-aminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting gamma-Tetrazole-aminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, gamma-Tetrazole-aminopterin has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of gamma-Tetrazole-aminopterin?
The CAS number of gamma-Tetrazole-aminopterin is 127134-21-8.
What is the molecular formula of gamma-Tetrazole-aminopterin?
The molecular formula of gamma-Tetrazole-aminopterin is C19H20N12O3.
What is the molecular weight of gamma-Tetrazole-aminopterin?
The molecular weight of gamma-Tetrazole-aminopterin is 464.17813 g/mol.
Where can I buy gamma-Tetrazole-aminopterin?
You can request a quote for gamma-Tetrazole-aminopterin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for gamma-Tetrazole-aminopterin?
Yes, CoreyChem provides custom synthesis services for gamma-Tetrazole-aminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.