Methylbenzoprim
TL;DR: Methylbenzoprim (CAS 118344-71-1) is a chemical compound with molecular formula C20H22N6O2 and molecular weight 378.18042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
Also Known As: Methylbenzoprim, Methobenzaprim, TYMS inhibitor 19-S, 2,4-Pyrimidinediamine der., NCI60_003643
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H22N6O2 |
| Molecular Weight | 378.18042 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.18042 Da |
| Heavy Atoms | 28 |
| Complexity | 509.0 |
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | NUFNKYNBZYIQDG-UHFFFAOYSA-N |
Chemical Property Profile of Methylbenzoprim
Property Insights of Methylbenzoprim
The XLogP value of 3.3 indicates that Methylbenzoprim is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylbenzoprim. Following Lipinski's Rule of Five, Methylbenzoprim has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methylbenzoprim?
The CAS number of Methylbenzoprim is 118344-71-1.
What is the molecular formula of Methylbenzoprim?
The molecular formula of Methylbenzoprim is C20H22N6O2.
What is the molecular weight of Methylbenzoprim?
The molecular weight of Methylbenzoprim is 378.18042 g/mol.
Where can I buy Methylbenzoprim?
You can request a quote for Methylbenzoprim directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylbenzoprim?
Yes, CoreyChem provides custom synthesis services for Methylbenzoprim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.