Trimetrexate Glucuronate
TL;DR: Trimetrexate Glucuronate (CAS 82952-64-5) is a chemical compound with molecular formula C25H33N5O10 and molecular weight 563.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Also Known As: Neutrexin, TRIMETREXATE GLUCURONATE, Neutrexin (TN), Trimetrexate D-glucuronate, Trimetrexate (glucuronate)
| Molecular Formula | C25H33N5O10 |
|---|---|
| Molecular Weight | 563.22 g/mol |
| LogP | -0.55 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 563.2227 |
| Heavy Atoms | 40 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 82952-64-5 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O |
| InChIKey | ZCJXQWYMBJYJNB-LRDBBFHQSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimetrexate Glucuronate (CAS 82952-64-5), with molecular formula C25H33N5O10 and molecular weight 563.22 g/mol. IUPAC: 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid.
Chemical Property Profile of Trimetrexate Glucuronate
Property Insights of Trimetrexate Glucuronate
The XLogP value of -0.55 indicates that Trimetrexate Glucuronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting Trimetrexate Glucuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trimetrexate Glucuronate has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimetrexate Glucuronate?
The CAS number of Trimetrexate Glucuronate is 82952-64-5.
What is the molecular formula of Trimetrexate Glucuronate?
The molecular formula of Trimetrexate Glucuronate is C25H33N5O10.
What is the molecular weight of Trimetrexate Glucuronate?
The molecular weight of Trimetrexate Glucuronate is 563.22 g/mol.
Where can I buy Trimetrexate Glucuronate?
You can request a quote for Trimetrexate Glucuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimetrexate Glucuronate?
Yes, KEHONG BIO provides custom synthesis services for Trimetrexate Glucuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.