Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 5966-92-7) is a chemical compound with molecular formula C18H23Cl2N3O3 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3, ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, Ethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H23Cl2N3O3 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.11163 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 5966-92-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)N(CCCl)CCCl)C |
| InChIKey | FHHVENYYALKCPA-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 5966-92-7), with molecular formula C18H23Cl2N3O3 and molecular weight 399.11 g/mol. IUPAC: ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 4 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 Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 5966-92-7.
What is the molecular formula of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C18H23Cl2N3O3.
What is the molecular weight of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 399.11 g/mol.
Where can I buy Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.