3',5'-Difluoromethotrexate, (R)-
TL;DR: 3',5'-Difluoromethotrexate, (R)- (CAS 143955-02-6) is a chemical compound with molecular formula C20H20F2N8O5 and molecular weight 490.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid
Also Known As: 3',5'-Difluoromethotrexate, (R)-, D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3,5-difluorobenzoyl)-, N-[3,5-Difluoro-4-[[(2,4-diaminopteridin-6-yl)methyl]methylamino]benzoyl]-D-glutamic acid, (2R)-2-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}-3,5-DIFLUOROPHENYL)FORMAMIDO]PENTANEDIOIC ACID, (2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3,5-difluoro-benzoyl]amino]pentanedioic acid
Technical Specifications
| Molecular Formula | C20H20F2N8O5 |
| Molecular Weight | 490.15247 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.15247 Da |
| Heavy Atoms | 35 |
| Complexity | 770.0 |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3F)C(=O)N[C@H](CCC(=O)O)C(=O)O)F |
| InChIKey | WLGUDGOIFDAKHG-GFCCVEGCSA-N |
Chemical Property Profile of 3',5'-Difluoromethotrexate, (R)-
Property Insights of 3',5'-Difluoromethotrexate, (R)-
The XLogP value of -1.2 indicates that 3',5'-Difluoromethotrexate, (R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting 3',5'-Difluoromethotrexate, (R)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3',5'-Difluoromethotrexate, (R)- has 5 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 3',5'-Difluoromethotrexate, (R)-?
The CAS number of 3',5'-Difluoromethotrexate, (R)- is 143955-02-6.
What is the molecular formula of 3',5'-Difluoromethotrexate, (R)-?
The molecular formula of 3',5'-Difluoromethotrexate, (R)- is C20H20F2N8O5.
What is the molecular weight of 3',5'-Difluoromethotrexate, (R)-?
The molecular weight of 3',5'-Difluoromethotrexate, (R)- is 490.15247 g/mol.
Where can I buy 3',5'-Difluoromethotrexate, (R)-?
You can request a quote for 3',5'-Difluoromethotrexate, (R)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3',5'-Difluoromethotrexate, (R)-?
Yes, CoreyChem provides custom synthesis services for 3',5'-Difluoromethotrexate, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.