NCIOpen2_007897
TL;DR: NCIOpen2_007897 (CAS 107668-79-1) is a chemical compound with molecular formula C14H13ClN2O3S and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: NCIOpen2_007897, ethyl 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylate, Ethyl 2-[O-chlorobenzylthio]-4-hydroxy-5-pyrimidine carboxylate, Ethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carboxylate, Ethyl 2-[(2-chlorobenzyl)sulfanyl]-4-hydroxy-5-pyrimidinecarboxylate #
| Molecular Formula | C14H13ClN2O3S |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.03354 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 107668-79-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC=C2Cl |
| InChIKey | REZUFOCXCJUPAP-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007897 (CAS 107668-79-1), with molecular formula C14H13ClN2O3S and molecular weight 324.03 g/mol. IUPAC: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of NCIOpen2_007897
Property Insights of NCIOpen2_007897
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007897. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007897. Following Lipinski's Rule of Five, NCIOpen2_007897 has 1 hydrogen bond donor(s) and 5 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_007897?
The CAS number of NCIOpen2_007897 is 107668-79-1.
What is the molecular formula of NCIOpen2_007897?
The molecular formula of NCIOpen2_007897 is C14H13ClN2O3S.
What is the molecular weight of NCIOpen2_007897?
The molecular weight of NCIOpen2_007897 is 324.03 g/mol.
Where can I buy NCIOpen2_007897?
You can request a quote for NCIOpen2_007897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007897?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.