![(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride structure](/static/products/112/112930-66-2.png)
(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride
TL;DR: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride (CAS 112930-66-2) is a chemical compound with molecular formula C17H13ClOS and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride
Also Known As: 3-dibenzo[b,e]thiepin-11(6H)-ylidenepropanoyl chloride, AE-641/40262232, (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride
| Molecular Formula | C17H13ClOS |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 4.8795 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.03757 |
| Heavy Atoms | 20 |
| Complexity | 641.3943 |
Chemical Identifiers
| CAS Number | 112930-66-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2/C(=C\CC(=O)Cl)/C3=CC=CC=C3S1 |
Product Overview
(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride (CAS 112930-66-2), with molecular formula C17H13ClOS and molecular weight 300.04 g/mol. IUPAC: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride.
Chemical Property Profile of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride
Property Insights of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride
The XLogP value of 4.8795 indicates that (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride has 0 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 (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride?
The CAS number of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride is 112930-66-2.
What is the molecular formula of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride?
The molecular formula of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride is C17H13ClOS.
What is the molecular weight of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride?
The molecular weight of (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride is 300.04 g/mol.
Where can I buy (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride?
You can request a quote for (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.