Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-
TL;DR: Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- (CAS 112930-62-8) is a chemical compound with molecular formula C17H14O3S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
Also Known As: (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid S-oxide, Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-, 3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)propanoic acid, AE-641/30111010, (3E)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
| Molecular Formula | C17H14O3S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.2142 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.06638 |
| Heavy Atoms | 21 |
| Complexity | 762.13544 |
Chemical Identifiers
| CAS Number | 112930-62-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2/C(=C\CC(=O)O)/C3=CC=CC=C3S1=O |
Product Overview
Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- (CAS 112930-62-8), with molecular formula C17H14O3S and molecular weight 298.07 g/mol. IUPAC: (3E)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid.
Chemical Property Profile of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-
Property Insights of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-
The XLogP value of 3.2142 indicates that Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- has 1 hydrogen bond donor(s) and 2 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 Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-?
The CAS number of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- is 112930-62-8.
What is the molecular formula of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-?
The molecular formula of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- is C17H14O3S.
What is the molecular weight of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-?
The molecular weight of Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- is 298.07 g/mol.
Where can I buy Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-?
You can request a quote for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, S-oxide, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.