RefChem:1099916
TL;DR: RefChem:1099916 (CAS 95356-80-2) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Also Known As: 6-((4-(Diethylamino)phenyl)methylene)-3-methylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((4-(diethylamino)phenyl)methylene)-3-methyl-, (6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one, RefChem:1099916, BRN 5590227
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 1.85332 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 890.75885 |
Chemical Identifiers
| CAS Number | 95356-80-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NN=C3S2)C |
Product Overview
RefChem:1099916 (CAS 95356-80-2), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
Chemical Property Profile of RefChem:1099916
Property Insights of RefChem:1099916
The XLogP value of 1.85332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099916. With a topological polar surface area (TPSA) of 50.5 Ų, RefChem:1099916 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1099916 has 0 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 RefChem:1099916?
The CAS number of RefChem:1099916 is 95356-80-2.
What is the molecular formula of RefChem:1099916?
The molecular formula of RefChem:1099916 is C16H18N4OS.
What is the molecular weight of RefChem:1099916?
The molecular weight of RefChem:1099916 is 314.12 g/mol.
Where can I buy RefChem:1099916?
You can request a quote for RefChem:1099916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099916?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.