Dimethyl methotrexate
TL;DR: Dimethyl methotrexate (CAS 34378-65-9) is a chemical compound with molecular formula C22H26N8O5 and molecular weight 482.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Also Known As: Methotrexate Dimethyl Ester, Dimethyl methotrexate, Methotrexate EP Impurity J, METHOTREXATE IMPURITY J [EP IMPURITY], 3-(1-methylindol-3-yl)-3-oxopropanenitrile
| Molecular Formula | C22H26N8O5 |
|---|---|
| Molecular Weight | 482.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.2026 |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 34378-65-9 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC |
| InChIKey | DIQFVFAFHNQUTG-HNNXBMFYSA-N |
Product Overview
Dimethyl methotrexate (CAS 34378-65-9), with molecular formula C22H26N8O5 and molecular weight 482.20 g/mol. IUPAC: dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Dimethyl methotrexate
Property Insights of Dimethyl methotrexate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl methotrexate. The TPSA of 189.0 Ų indicates high polarity, suggesting Dimethyl methotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl methotrexate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl methotrexate?
The CAS number of Dimethyl methotrexate is 34378-65-9.
What is the molecular formula of Dimethyl methotrexate?
The molecular formula of Dimethyl methotrexate is C22H26N8O5.
What is the molecular weight of Dimethyl methotrexate?
The molecular weight of Dimethyl methotrexate is 482.20 g/mol.
Where can I buy Dimethyl methotrexate?
You can request a quote for Dimethyl methotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl methotrexate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl methotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.