Methotrexate-gamma-dimethylamide
TL;DR: Methotrexate-gamma-dimethylamide (CAS 71074-44-7) is a chemical compound with molecular formula C22H27N9O4 and molecular weight 481.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
Also Known As: Mxt-gamma-dma, Methotrexate Dimethylamide, Methotrexate-gamma-dimethylamide, Methotrexate Impurity 20, Methotrexate Dimethylamide (>90%)
| Molecular Formula | C22H27N9O4 |
|---|---|
| Molecular Weight | 481.22 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.2186 |
| Heavy Atoms | 35 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 71074-44-7 |
|---|---|
| SMILES | CN(C)C(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | BHFZGVOUGIGQGR-HNNXBMFYSA-N |
Product Overview
Methotrexate-gamma-dimethylamide (CAS 71074-44-7), with molecular formula C22H27N9O4 and molecular weight 481.22 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid.
Chemical Property Profile of Methotrexate-gamma-dimethylamide
Property Insights of Methotrexate-gamma-dimethylamide
The XLogP value of -1.9 indicates that Methotrexate-gamma-dimethylamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting Methotrexate-gamma-dimethylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate-gamma-dimethylamide has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methotrexate-gamma-dimethylamide?
The CAS number of Methotrexate-gamma-dimethylamide is 71074-44-7.
What is the molecular formula of Methotrexate-gamma-dimethylamide?
The molecular formula of Methotrexate-gamma-dimethylamide is C22H27N9O4.
What is the molecular weight of Methotrexate-gamma-dimethylamide?
The molecular weight of Methotrexate-gamma-dimethylamide is 481.22 g/mol.
Where can I buy Methotrexate-gamma-dimethylamide?
You can request a quote for Methotrexate-gamma-dimethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate-gamma-dimethylamide?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate-gamma-dimethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.