ChemDiv1_006736
TL;DR: ChemDiv1_006736 (CAS 6359-12-2) is a chemical compound with molecular formula C20H18BrN3O3S and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromo-2-methylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_006736, (5E)-1-(4-bromo-2-methylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(4-BROMO-2-METHYLPHENYL)-5-{[5-(PYRROLIDIN-1-YL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 1-(4-bromo-2-methylphenyl)-5-{[5-(1-pyrrolidinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C20H18BrN3O3S |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 3.78202 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.02524 |
| Heavy Atoms | 28 |
| Complexity | 1007.8749 |
Chemical Identifiers
| CAS Number | 6359-12-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=C(O3)N4CCCC4)/C(=O)NC2=S |
Product Overview
ChemDiv1_006736 (CAS 6359-12-2), with molecular formula C20H18BrN3O3S and molecular weight 459.03 g/mol. IUPAC: (5E)-1-(4-bromo-2-methylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_006736
Property Insights of ChemDiv1_006736
The XLogP value of 3.78202 indicates that ChemDiv1_006736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006736. Following Lipinski's Rule of Five, ChemDiv1_006736 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 ChemDiv1_006736?
The CAS number of ChemDiv1_006736 is 6359-12-2.
What is the molecular formula of ChemDiv1_006736?
The molecular formula of ChemDiv1_006736 is C20H18BrN3O3S.
What is the molecular weight of ChemDiv1_006736?
The molecular weight of ChemDiv1_006736 is 459.03 g/mol.
Where can I buy ChemDiv1_006736?
You can request a quote for ChemDiv1_006736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006736?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.