Trimetrexate
TL;DR: Trimetrexate (CAS 52128-35-5) is a chemical compound with molecular formula C19H23N5O3 and molecular weight 369.18 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
Also Known As: trimetrexate, Trimetrexato, Trimetrexatum, Neutrexin, Trimexate
| Molecular Formula | C19H23N5O3 |
|---|---|
| Molecular Weight | 369.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.18008 |
| Heavy Atoms | 27 |
| Complexity | 457.0 |
| Melting Point | 215-217 °C |
| Solubility | 31.4 |
Chemical Identifiers
| CAS Number | 52128-35-5 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | NOYPYLRCIDNJJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimetrexate (CAS 52128-35-5), with molecular formula C19H23N5O3 and molecular weight 369.18 g/mol. IUPAC: 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine.
Chemical Property Profile of Trimetrexate
Property Insights of Trimetrexate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimetrexate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimetrexate. Following Lipinski's Rule of Five, Trimetrexate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimetrexate?
The CAS number of Trimetrexate is 52128-35-5.
What is the molecular formula of Trimetrexate?
The molecular formula of Trimetrexate is C19H23N5O3.
What is the molecular weight of Trimetrexate?
The molecular weight of Trimetrexate is 369.18 g/mol.
Where can I buy Trimetrexate?
You can request a quote for Trimetrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimetrexate?
Yes, KEHONG BIO provides custom synthesis services for Trimetrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.