5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
TL;DR: 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione (CAS 27430-13-3) is a chemical compound with molecular formula C11H7ClN2O2S and molecular weight 265.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Maybridge1_002316, NCIOpen2_006327, DivK1c_001068, CDS1_000028, BAS 00402972
| Molecular Formula | C11H7ClN2O2S |
|---|---|
| Molecular Weight | 265.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.99167 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 27430-13-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)Cl |
| InChIKey | ZKRCZPXGHCOOLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione (CAS 27430-13-3), with molecular formula C11H7ClN2O2S and molecular weight 265.99 g/mol. IUPAC: 5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
Property Insights of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione. Following Lipinski's Rule of Five, 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione 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 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
The CAS number of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione is 27430-13-3.
What is the molecular formula of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
The molecular formula of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione is C11H7ClN2O2S.
What is the molecular weight of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
The molecular weight of 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione is 265.99 g/mol.
Where can I buy 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
You can request a quote for 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.