9-Methyl-10-deazaminopterin
TL;DR: 9-Methyl-10-deazaminopterin (CAS 122594-35-8) is a chemical compound with molecular formula C21H23N7O5 and molecular weight 453.17606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid
Also Known As: 9-Methyl-10-deazaminopterin, N-(4-(2-(2,4-Diamino-6-pteridinyl)propyl)benzoyl)-L-glutamic acid, (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)propyl)benzoyl)-, N-{4-[2-(4-Amino-2-imino-2,3-dihydropteridin-6-yl)propyl]benzoyl}-L-glutamic acid
Technical Specifications
| Molecular Formula | C21H23N7O5 |
| Molecular Weight | 453.17606 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.17606 Da |
| Heavy Atoms | 33 |
| Complexity | 702.0 |
| SMILES | CC(CC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | SEJWECNFKLVVFC-HQVZTVAUSA-N |
Chemical Property Profile of 9-Methyl-10-deazaminopterin
Property Insights of 9-Methyl-10-deazaminopterin
The XLogP value of -0.9 indicates that 9-Methyl-10-deazaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting 9-Methyl-10-deazaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Methyl-10-deazaminopterin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9-Methyl-10-deazaminopterin?
The CAS number of 9-Methyl-10-deazaminopterin is 122594-35-8.
What is the molecular formula of 9-Methyl-10-deazaminopterin?
The molecular formula of 9-Methyl-10-deazaminopterin is C21H23N7O5.
What is the molecular weight of 9-Methyl-10-deazaminopterin?
The molecular weight of 9-Methyl-10-deazaminopterin is 453.17606 g/mol.
Where can I buy 9-Methyl-10-deazaminopterin?
You can request a quote for 9-Methyl-10-deazaminopterin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Methyl-10-deazaminopterin?
Yes, CoreyChem provides custom synthesis services for 9-Methyl-10-deazaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.