Methotrexate Dimethyl Ester
TL;DR: Methotrexate Dimethyl Ester (CAS 432545-60-3) 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 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Also Known As: Methotrexate Dimethyl Ester, Dimethyl methotrexate, Methotrexate impurity 57, Methotrexate-methyl-d3, Dimethyl Ester, N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic Acid Dimethyl Ester
| Molecular Formula | C22H26N8O5 |
|---|---|
| Molecular Weight | 482.20 g/mol |
| LogP | 0.4452 |
| Topological Polar Surface Area | 188.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.2026 |
| Heavy Atoms | 35 |
| Complexity | 1234.4932 |
Chemical Identifiers
| CAS Number | 432545-60-3 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC |
Product Overview
Methotrexate Dimethyl Ester (CAS 432545-60-3), with molecular formula C22H26N8O5 and molecular weight 482.20 g/mol. IUPAC: dimethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Methotrexate Dimethyl Ester
Property Insights of Methotrexate Dimethyl Ester
The XLogP value of 0.4452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methotrexate Dimethyl Ester. The TPSA of 188.54 Ų indicates high polarity, suggesting Methotrexate Dimethyl Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate Dimethyl Ester 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 Methotrexate Dimethyl Ester?
The CAS number of Methotrexate Dimethyl Ester is 432545-60-3.
What is the molecular formula of Methotrexate Dimethyl Ester?
The molecular formula of Methotrexate Dimethyl Ester is C22H26N8O5.
What is the molecular weight of Methotrexate Dimethyl Ester?
The molecular weight of Methotrexate Dimethyl Ester is 482.20 g/mol.
Where can I buy Methotrexate Dimethyl Ester?
You can request a quote for Methotrexate Dimethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate Dimethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate Dimethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.