![1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione structure](/static/products/1412/14121-49-4.webp)
1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione
TL;DR: 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione (CAS 14121-49-4) is a chemical compound with molecular formula C18H8O3S and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-oxa-8-thiapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
Also Known As: Silver fluoborate, Benzothioxanthene dicarboxylic anhydride, nchembio730-comp10, 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione, Benzothioanthene dicarboxylic anhyride
| Molecular Formula | C18H8O3S |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.0194 |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 14121-49-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)OC5=O)S2 |
| InChIKey | YCJAUMBAFBAMFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione (CAS 14121-49-4), with molecular formula C18H8O3S and molecular weight 304.02 g/mol. IUPAC: 14-oxa-8-thiapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione.
Chemical Property Profile of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione
Property Insights of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione
The XLogP value of 4.3 indicates that 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione. Following Lipinski's Rule of Five, 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione has 0 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 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione?
The CAS number of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione is 14121-49-4.
What is the molecular formula of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione?
The molecular formula of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione is C18H8O3S.
What is the molecular weight of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione?
The molecular weight of 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione is 304.02 g/mol.
Where can I buy 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione?
You can request a quote for 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.