Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate
TL;DR: Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate (CAS 106449-21-2) is a chemical compound with molecular formula C32H38N11O12P and molecular weight 799.2439 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)methyl-methylamino]benzoyl]amino]-5-[[(E)-3-[1-[(4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]amino]-5-oxopentanoic acid
Also Known As: Maa-dump, Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[(E)-3-[1-[(4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]amino]-5-oxopentanoic acid, methotrexate 5-aminoallyl-2/'-deoxyuridine 5/'-monophosphate, L-Glutamine, N-(3-(1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-propenyl)-N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
Technical Specifications
| Molecular Formula | C32H38N11O12P |
| Molecular Weight | 799.2439 g/mol |
| XLogP | -4.8 |
| Topological Polar Surface Area (TPSA) | 348.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 799.2439 Da |
| Heavy Atoms | 56 |
| Complexity | 1560.0 |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NC/C=C/C4=CN(C(=O)NC4=O)C5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)O |
| InChIKey | JUEDZCNWTACZMW-XWOUTAHESA-N |
Product Description
Applications: Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is a fine chemical identified by CAS number 106449-21-2 and the molecular formula C32H38N11O12P and a molecular weight of 799.24 g/mol. Synonyms include Maa-dump and Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate
Property Insights of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate
The XLogP value of -4.8 indicates that Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate?
The CAS number of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is 106449-21-2.
What is the molecular formula of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate?
The molecular formula of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is C32H38N11O12P.
What is the molecular weight of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate?
The molecular weight of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is 799.2439 g/mol.
What are the applications of Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate?
Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate?
You can request a quote for Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate?
Yes, CoreyChem provides custom synthesis services for Methotrexate 5-aminoallyl-2'-deoxyuridine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.