8T-0047
TL;DR: 8T-0047 (CAS 866137-03-3) is a chemical compound with molecular formula C17H14ClN3O4S and molecular weight 391.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 8T-0047, 5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-({4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-({4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H14ClN3O4S |
|---|---|
| Molecular Weight | 391.04 g/mol |
| LogP | 2.8093 |
| Topological Polar Surface Area | 79.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.03937 |
| Heavy Atoms | 26 |
| Complexity | 880.98676 |
Chemical Identifiers
| CAS Number | 866137-03-3 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CN=C(S3)Cl)C(=O)N(C1=O)C |
Product Overview
8T-0047 (CAS 866137-03-3), with molecular formula C17H14ClN3O4S and molecular weight 391.04 g/mol. IUPAC: 5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 8T-0047
Property Insights of 8T-0047
The XLogP value of 2.8093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8T-0047. The TPSA of 79.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 8T-0047. Following Lipinski's Rule of Five, 8T-0047 has 0 hydrogen bond donor(s) and 6 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 8T-0047?
The CAS number of 8T-0047 is 866137-03-3.
What is the molecular formula of 8T-0047?
The molecular formula of 8T-0047 is C17H14ClN3O4S.
What is the molecular weight of 8T-0047?
The molecular weight of 8T-0047 is 391.04 g/mol.
Where can I buy 8T-0047?
You can request a quote for 8T-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8T-0047?
Yes, KEHONG BIO provides custom synthesis services for 8T-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.