NCIOpen2_007739
TL;DR: NCIOpen2_007739 (CAS 7359-08-2) is a chemical compound with molecular formula C17H17Cl2N3O2S and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate
Also Known As: NCIOpen2_007739, Ethyl 2-((3,4-dichlorobenzyl)thio)-4-(2-methyl-1-aziridinyl)-5-pyrimidinecarboxylate, ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate, Ethyl 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate
| Molecular Formula | C17H17Cl2N3O2S |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.04184 |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 7359-08-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N2CC2C)SCC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | GXAQTHYNNMZNRI-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007739 (CAS 7359-08-2), with molecular formula C17H17Cl2N3O2S and molecular weight 397.04 g/mol. IUPAC: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate.
Chemical Property Profile of NCIOpen2_007739
Property Insights of NCIOpen2_007739
The XLogP value of 4.7 indicates that NCIOpen2_007739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007739. Following Lipinski's Rule of Five, NCIOpen2_007739 has 0 hydrogen bond donor(s) and 6 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 NCIOpen2_007739?
The CAS number of NCIOpen2_007739 is 7359-08-2.
What is the molecular formula of NCIOpen2_007739?
The molecular formula of NCIOpen2_007739 is C17H17Cl2N3O2S.
What is the molecular weight of NCIOpen2_007739?
The molecular weight of NCIOpen2_007739 is 397.04 g/mol.
Where can I buy NCIOpen2_007739?
You can request a quote for NCIOpen2_007739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007739?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.