BW 616U76
TL;DR: BW 616U76 (CAS 77533-92-7) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(9,10,10-trioxothioxanthen-3-yl)acetamide
Also Known As: BW 616U76, BW-616U76, N-(9,10,10-trioxothioxanthen-3-yl)acetamide, n-(10,10-dioxido-9-oxo-9h-thioxanthen-3-yl)acetamide, 3-Acetylamino-9-oxo-9H-thioxanthene 10,10-dioxide
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 77533-92-7 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | CPEJWUGAQDQTIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BW 616U76 (CAS 77533-92-7), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: N-(9,10,10-trioxothioxanthen-3-yl)acetamide.
Chemical Property Profile of BW 616U76
Property Insights of BW 616U76
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BW 616U76. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BW 616U76. Following Lipinski's Rule of Five, BW 616U76 has 1 hydrogen bond donor(s) and 4 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 BW 616U76?
The CAS number of BW 616U76 is 77533-92-7.
What is the molecular formula of BW 616U76?
The molecular formula of BW 616U76 is C15H11NO4S.
What is the molecular weight of BW 616U76?
The molecular weight of BW 616U76 is 301.04 g/mol.
Where can I buy BW 616U76?
You can request a quote for BW 616U76 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BW 616U76?
Yes, KEHONG BIO provides custom synthesis services for BW 616U76 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.