BIM-0045999.P001
TL;DR: BIM-0045999.P001 (CAS 313069-95-3) is a chemical compound with molecular formula C17H10N4O3S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(3-nitrophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Also Known As: BIM-0045999.P001, (6Z)-6-[(3-nitrophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one, 6-(3-nitrobenzylidene)-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one, (6Z)-6-(3-nitrobenzylidene)-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one, 6-{3-nitrobenzylidene}-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
| Molecular Formula | C17H10N4O3S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 2.2739 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.04736 |
| Heavy Atoms | 25 |
| Complexity | 1197.8391 |
Chemical Identifiers
| CAS Number | 313069-95-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/S3 |
Product Overview
BIM-0045999.P001 (CAS 313069-95-3), with molecular formula C17H10N4O3S and molecular weight 350.05 g/mol. IUPAC: (6Z)-6-[(3-nitrophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
Chemical Property Profile of BIM-0045999.P001
Property Insights of BIM-0045999.P001
The XLogP value of 2.2739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0045999.P001. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045999.P001. Following Lipinski's Rule of Five, BIM-0045999.P001 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 BIM-0045999.P001?
The CAS number of BIM-0045999.P001 is 313069-95-3.
What is the molecular formula of BIM-0045999.P001?
The molecular formula of BIM-0045999.P001 is C17H10N4O3S.
What is the molecular weight of BIM-0045999.P001?
The molecular weight of BIM-0045999.P001 is 350.05 g/mol.
Where can I buy BIM-0045999.P001?
You can request a quote for BIM-0045999.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045999.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045999.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.