7-Hydroxymethotrexate
TL;DR: 7-Hydroxymethotrexate (CAS 5939-37-7) is a chemical compound with molecular formula C20H22N8O6 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 7-Hydroxymethotrexate, 7-hydroxy MTX, 7-Hydroxymethotrexat, 7-Hydroxy Methotrexate, 7-Hydroxy methoxtrexate
| Molecular Formula | C20H22N8O6 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | -0.4383 |
| Topological Polar Surface Area | 230.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.16623 |
| Heavy Atoms | 34 |
| Complexity | 1306.9019 |
Chemical Identifiers
| CAS Number | 5939-37-7 |
|---|---|
| SMILES | CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
Product Overview
7-Hydroxymethotrexate (CAS 5939-37-7), with molecular formula C20H22N8O6 and molecular weight 470.17 g/mol. IUPAC: 2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 7-Hydroxymethotrexate
Property Insights of 7-Hydroxymethotrexate
The XLogP value of -0.4383 indicates that 7-Hydroxymethotrexate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.51 Ų indicates high polarity, suggesting 7-Hydroxymethotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Hydroxymethotrexate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Hydroxymethotrexate?
The CAS number of 7-Hydroxymethotrexate is 5939-37-7.
What is the molecular formula of 7-Hydroxymethotrexate?
The molecular formula of 7-Hydroxymethotrexate is C20H22N8O6.
What is the molecular weight of 7-Hydroxymethotrexate?
The molecular weight of 7-Hydroxymethotrexate is 470.17 g/mol.
Where can I buy 7-Hydroxymethotrexate?
You can request a quote for 7-Hydroxymethotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxymethotrexate?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxymethotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.