ChemDiv1_006778
TL;DR: ChemDiv1_006778 (CAS 6349-61-7) is a chemical compound with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_006778, (5E)-1-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 3.7546 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 978.58044 |
Chemical Identifiers
| CAS Number | 6349-61-7 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl |
Product Overview
ChemDiv1_006778 (CAS 6349-61-7), with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol. IUPAC: 1-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_006778
Property Insights of ChemDiv1_006778
The XLogP value of 3.7546 indicates that ChemDiv1_006778 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_006778. Following Lipinski's Rule of Five, ChemDiv1_006778 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_006778?
The CAS number of ChemDiv1_006778 is 6349-61-7.
What is the molecular formula of ChemDiv1_006778?
The molecular formula of ChemDiv1_006778 is C20H18ClN3O3S.
What is the molecular weight of ChemDiv1_006778?
The molecular weight of ChemDiv1_006778 is 415.08 g/mol.
Where can I buy ChemDiv1_006778?
You can request a quote for ChemDiv1_006778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006778?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.