Tetroxoprim
TL;DR: Tetroxoprim (CAS 53808-87-0) is a chemical compound with molecular formula C16H22N4O4 and molecular weight 334.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Also Known As: Tetroxoprim, Tetroxoprima, Tetroxoprime, Tetroxoprimum, piritrexin
| Molecular Formula | C16H22N4O4 |
|---|---|
| Molecular Weight | 334.16 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.1641 |
| Heavy Atoms | 24 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 53808-87-0 |
|---|---|
| SMILES | COCCOC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC |
| InChIKey | WSWJIZXMAUYHOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetroxoprim (CAS 53808-87-0), with molecular formula C16H22N4O4 and molecular weight 334.16 g/mol. IUPAC: 5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of Tetroxoprim
Property Insights of Tetroxoprim
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetroxoprim. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetroxoprim. Following Lipinski's Rule of Five, Tetroxoprim has 2 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 Tetroxoprim?
The CAS number of Tetroxoprim is 53808-87-0.
What is the molecular formula of Tetroxoprim?
The molecular formula of Tetroxoprim is C16H22N4O4.
What is the molecular weight of Tetroxoprim?
The molecular weight of Tetroxoprim is 334.16 g/mol.
Where can I buy Tetroxoprim?
You can request a quote for Tetroxoprim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetroxoprim?
Yes, KEHONG BIO provides custom synthesis services for Tetroxoprim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.