Methotrexate-alpha-arginine
TL;DR: Methotrexate-alpha-arginine (CAS 129922-33-4) is a chemical compound with molecular formula C26H34N12O6 and molecular weight 610.2724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
Also Known As: Mtx-arg, Methotrexate-alpha-arginine, (4R)-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid, trifluoromethanesulfonate,5-(trifluoromethyl)dibenzoselenophen-5-ium, N2-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-D-alpha-glutamyl)-L-arginine
Technical Specifications
| Molecular Formula | C26H34N12O6 |
| Molecular Weight | 610.2724 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 610.2724 Da |
| Heavy Atoms | 44 |
| Complexity | 1020.0 |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChIKey | JXNOYJVKQNZUFW-SJORKVTESA-N |
Chemical Property Profile of Methotrexate-alpha-arginine
Property Insights of Methotrexate-alpha-arginine
The XLogP value of -3.3 indicates that Methotrexate-alpha-arginine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Methotrexate-alpha-arginine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate-alpha-arginine has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methotrexate-alpha-arginine?
The CAS number of Methotrexate-alpha-arginine is 129922-33-4.
What is the molecular formula of Methotrexate-alpha-arginine?
The molecular formula of Methotrexate-alpha-arginine is C26H34N12O6.
What is the molecular weight of Methotrexate-alpha-arginine?
The molecular weight of Methotrexate-alpha-arginine is 610.2724 g/mol.
Where can I buy Methotrexate-alpha-arginine?
You can request a quote for Methotrexate-alpha-arginine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methotrexate-alpha-arginine?
Yes, CoreyChem provides custom synthesis services for Methotrexate-alpha-arginine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.