Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-
TL;DR: Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- (CAS 107165-83-3) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(1,3-diazinan-2-ylidene)ethanone
Also Known As: Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-, (3-Morpholino-propyl)-veratryl-amin, 1-(4-chlorophenyl)-2-(1,3-diazinan-2-ylidene)ethanone, 2-(4-Chlorophenacylidene)hexahydropyrimidine, 1-(4-chlorophenyl)-2-(1,3-diazinan-2-ylidene)ethan-1-one
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 107165-83-3 |
|---|---|
| SMILES | C1CNC(=CC(=O)C2=CC=C(C=C2)Cl)NC1 |
| InChIKey | LZYCYKXUSHBKTK-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- (CAS 107165-83-3), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(1,3-diazinan-2-ylidene)ethanone.
Chemical Property Profile of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-
Property Insights of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-. With a topological polar surface area (TPSA) of 41.1 Ų, Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- has 2 hydrogen bond donor(s) and 3 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 Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-?
The CAS number of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- is 107165-83-3.
What is the molecular formula of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-?
The molecular formula of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- is C12H13ClN2O.
What is the molecular weight of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-?
The molecular weight of Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- is 236.07 g/mol.
Where can I buy Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-?
You can request a quote for Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-chlorophenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.