Methotrexate-gamma-methylamide
TL;DR: Methotrexate-gamma-methylamide (CAS 67036-48-0) is a chemical compound with molecular formula C21H25N9O4 and molecular weight 467.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid
Also Known As: Methotrexate-gamma-methylamide, 1-Hydroxymethyl-1-methyl-methyl-p-anisylketon, n2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-n-methylglutamine, 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid, L-Glutamine,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N-methyl-
| Molecular Formula | C21H25N9O4 |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.20294 |
| Heavy Atoms | 34 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 67036-48-0 |
|---|---|
| SMILES | CNC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | BOKUWBZDTDLPGM-UHFFFAOYSA-N |
Product Overview
Methotrexate-gamma-methylamide (CAS 67036-48-0), with molecular formula C21H25N9O4 and molecular weight 467.20 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid.
Chemical Property Profile of Methotrexate-gamma-methylamide
Property Insights of Methotrexate-gamma-methylamide
The XLogP value of -2.1 indicates that Methotrexate-gamma-methylamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Methotrexate-gamma-methylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate-gamma-methylamide has 5 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-methylamide?
The CAS number of Methotrexate-gamma-methylamide is 67036-48-0.
What is the molecular formula of Methotrexate-gamma-methylamide?
The molecular formula of Methotrexate-gamma-methylamide is C21H25N9O4.
What is the molecular weight of Methotrexate-gamma-methylamide?
The molecular weight of Methotrexate-gamma-methylamide is 467.20 g/mol.
Where can I buy Methotrexate-gamma-methylamide?
You can request a quote for Methotrexate-gamma-methylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate-gamma-methylamide?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate-gamma-methylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.