![3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid structure](/static/products/1129/112930-58-2.webp)
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
TL;DR: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid (CAS 112930-58-2) is a chemical compound with molecular formula C17H14O2S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
Also Known As: Propanoic acid,3-dibenzo[b,e]thiepin-11(6H)-ylidene-, (E)- (9CI), Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-, (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid
| Molecular Formula | C17H14O2S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 4.1987 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07144 |
| Heavy Atoms | 20 |
| Complexity | 639.3943 |
Chemical Identifiers
| CAS Number | 112930-58-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=CCC(=O)O)C3=CC=CC=C3S1 |
Product Overview
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid (CAS 112930-58-2), with molecular formula C17H14O2S and molecular weight 282.07 g/mol. IUPAC: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid.
Chemical Property Profile of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
Property Insights of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
The XLogP value of 4.1987 indicates that 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid 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 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid?
The CAS number of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid is 112930-58-2.
What is the molecular formula of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid?
The molecular formula of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid is C17H14O2S.
What is the molecular weight of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid?
The molecular weight of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid is 282.07 g/mol.
Where can I buy 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid?
You can request a quote for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.