Dichloromethotrexate
TL;DR: Dichloromethotrexate (CAS 528-74-5) is a chemical compound with molecular formula C20H20Cl2N8O5 and molecular weight 522.0934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: DICHLOROMETHOTREXATE, Dichloroamethopterin, Methotrexate, dichloro-, 3',5'-Dichloromethotrexate, 3,5-Dichloromethotrexate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H20Cl2N8O5 |
| Molecular Weight | 522.0934 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.0934 Da |
| Heavy Atoms | 35 |
| Complexity | 770.0 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl |
| InChIKey | MCEHFIXEKNKSRW-LBPRGKRZSA-N |
Product Description
Applications: Dichloromethotrexate is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dichloromethotrexate (CAS 528-74-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Dichloromethotrexate (CAS 528-74-5) has the molecular formula C20H20Cl2N8O5 and a molecular weight of 522.09 g/mol. Reported properties include a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as DICHLOROMETHOTREXATE and Dichloroamethopterin.
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 Dichloromethotrexate
Property Insights of Dichloromethotrexate
The XLogP value of -0.1 indicates that Dichloromethotrexate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting Dichloromethotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dichloromethotrexate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dichloromethotrexate?
The CAS number of Dichloromethotrexate is 528-74-5.
What is the molecular formula of Dichloromethotrexate?
The molecular formula of Dichloromethotrexate is C20H20Cl2N8O5.
What is the molecular weight of Dichloromethotrexate?
The molecular weight of Dichloromethotrexate is 522.0934 g/mol.
What are the applications of Dichloromethotrexate?
Dichloromethotrexate is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dichloromethotrexate (CAS 528-74-5) with custom synthesis available from milligram to multi-kilogram scale, supported by...
Where can I buy Dichloromethotrexate?
You can request a quote for Dichloromethotrexate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dichloromethotrexate?
Yes, CoreyChem provides custom synthesis services for Dichloromethotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.