Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-
TL;DR: Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- (CAS 112930-64-0) is a chemical compound with molecular formula C17H14O4S and molecular weight 314.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
Also Known As: Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-, (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S,S-dioxide, (3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid, BRN 3621434
Technical Specifications
| Molecular Formula | C17H14O4S |
| Molecular Weight | 314.06128 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.06128 Da |
| Heavy Atoms | 22 |
| Complexity | 558.0 |
| SMILES | C1C2=CC=CC=C2/C(=C\CC(=O)O)/C3=CC=CC=C3S1(=O)=O |
| InChIKey | MGHYVISLVCDVKF-NTEUORMPSA-N |
Chemical Property Profile of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-
Property Insights of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-. Following Lipinski's Rule of Five, Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- 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
What is the CAS number of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-?
The CAS number of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- is 112930-64-0.
What is the molecular formula of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-?
The molecular formula of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- is C17H14O4S.
What is the molecular weight of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-?
The molecular weight of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- is 314.06128 g/mol.
Where can I buy Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-?
You can request a quote for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)-?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S,S-dioxide, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.