Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-
TL;DR: Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- (CAS 112930-69-5) is a chemical compound with molecular formula C17H15NOS and molecular weight 281.09 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)propanamide
Also Known As: Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-, (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionamide, (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanamide, RefChem:1096691, BRN 4461572
| Molecular Formula | C17H15NOS |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 3.5994 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08743 |
| Heavy Atoms | 20 |
| Complexity | 641.3943 |
Chemical Identifiers
| CAS Number | 112930-69-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2/C(=C\CC(=O)N)/C3=CC=CC=C3S1 |
Product Overview
Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- (CAS 112930-69-5), with molecular formula C17H15NOS and molecular weight 281.09 g/mol. IUPAC: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanamide.
Chemical Property Profile of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-
Property Insights of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-
The XLogP value of 3.5994 indicates that Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (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 Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-?
The CAS number of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- is 112930-69-5.
What is the molecular formula of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-?
The molecular formula of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- is C17H15NOS.
What is the molecular weight of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-?
The molecular weight of Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- is 281.09 g/mol.
Where can I buy Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-?
You can request a quote for Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Propanamide, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.