Ethylbenzoprim
TL;DR: Ethylbenzoprim (CAS 118344-72-2) is a chemical compound with molecular formula C21H24N6O2 and molecular weight 392.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[benzyl(ethyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
Also Known As: Ethylbenzoprim, 2,4-Pyrimidinediamine der., 2-bromo-N-(4-chlorophenyl)benzenesulfonamide, 6-Ethyl-5-(4-(ethyl(phenylmethyl)amino)-3-nitrophenyl)-2,4-pyrimidinediamine, 5-[4-[benzyl(ethyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
| Molecular Formula | C21H24N6O2 |
|---|---|
| Molecular Weight | 392.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.19608 |
| Heavy Atoms | 29 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 118344-72-2 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(CC)CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | IMIGOGRRRKKZEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylbenzoprim (CAS 118344-72-2), with molecular formula C21H24N6O2 and molecular weight 392.20 g/mol. IUPAC: 5-[4-[benzyl(ethyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of Ethylbenzoprim
Property Insights of Ethylbenzoprim
The XLogP value of 3.6 indicates that Ethylbenzoprim 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 Ethylbenzoprim. Following Lipinski's Rule of Five, Ethylbenzoprim 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
Frequently Asked Questions
What is the CAS number of Ethylbenzoprim?
The CAS number of Ethylbenzoprim is 118344-72-2.
What is the molecular formula of Ethylbenzoprim?
The molecular formula of Ethylbenzoprim is C21H24N6O2.
What is the molecular weight of Ethylbenzoprim?
The molecular weight of Ethylbenzoprim is 392.20 g/mol.
Where can I buy Ethylbenzoprim?
You can request a quote for Ethylbenzoprim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylbenzoprim?
Yes, KEHONG BIO provides custom synthesis services for Ethylbenzoprim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.