RefChem:415714
TL;DR: RefChem:415714 (CAS 63815-79-2) is a chemical compound with molecular formula C23H15NO2S3 and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-dithiophen-2-ylpropane-1,3-dione
Also Known As: 1,3-propanedione, 2-(1-methylnaphtho[1,2-d]thiazol-2(1h)-ylidene)-1,3-di-2-thienyl-, 1,3-Propanedione, 2-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1,3-di-2-thienyl-, 2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-dithiophen-2-ylpropane-1,3-dione, 2-(1-Methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1,3-bis(2-thienyl)-1,3-propanedione, 2-(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-1,3-di(thiophen-2-yl)propane-1,3-dione
| Molecular Formula | C23H15NO2S3 |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0265 |
| Heavy Atoms | 29 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 63815-79-2 |
|---|---|
| SMILES | CN1C2=C(C=CC3=CC=CC=C32)SC1=C(C(=O)C4=CC=CS4)C(=O)C5=CC=CS5 |
| InChIKey | JQWTUHXQKFVNRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:415714 (CAS 63815-79-2), with molecular formula C23H15NO2S3 and molecular weight 433.03 g/mol. IUPAC: 2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-dithiophen-2-ylpropane-1,3-dione.
Chemical Property Profile of RefChem:415714
Property Insights of RefChem:415714
The XLogP value of 6.7 indicates that RefChem:415714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:415714. Following Lipinski's Rule of Five, RefChem:415714 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:415714?
The CAS number of RefChem:415714 is 63815-79-2.
What is the molecular formula of RefChem:415714?
The molecular formula of RefChem:415714 is C23H15NO2S3.
What is the molecular weight of RefChem:415714?
The molecular weight of RefChem:415714 is 433.03 g/mol.
Where can I buy RefChem:415714?
You can request a quote for RefChem:415714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:415714?
Yes, KEHONG BIO provides custom synthesis services for RefChem:415714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.