ChemDiv1_008330
TL;DR: ChemDiv1_008330 (CAS 340304-97-4) is a chemical compound with molecular formula C18H11Cl2FN2O3S and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_008330, DivK1c_002970, CDS1_001930, 5-(3,5-dichloro-4-((4-fluorobenzyl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{3,5-dichloro-4-[(4-fluorobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H11Cl2FN2O3S |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 3.6258 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.98514 |
| Heavy Atoms | 27 |
| Complexity | 932.0672 |
Chemical Identifiers
| CAS Number | 340304-97-4 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=S)NC3=O)Cl)F |
Product Overview
ChemDiv1_008330 (CAS 340304-97-4), with molecular formula C18H11Cl2FN2O3S and molecular weight 423.99 g/mol. IUPAC: 5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_008330
Property Insights of ChemDiv1_008330
The XLogP value of 3.6258 indicates that ChemDiv1_008330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008330. Following Lipinski's Rule of Five, ChemDiv1_008330 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 ChemDiv1_008330?
The CAS number of ChemDiv1_008330 is 340304-97-4.
What is the molecular formula of ChemDiv1_008330?
The molecular formula of ChemDiv1_008330 is C18H11Cl2FN2O3S.
What is the molecular weight of ChemDiv1_008330?
The molecular weight of ChemDiv1_008330 is 423.99 g/mol.
Where can I buy ChemDiv1_008330?
You can request a quote for ChemDiv1_008330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008330?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.