![(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile structure](/static/products/130/130111-58-9.png)
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile
TL;DR: (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile (CAS 130111-58-9) is a chemical compound with molecular formula C17H13NS and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile
Also Known As: 3-dibenzo[b,e]thiepin-11(6H)-ylidenepropanenitrile, AE-641/00357031, (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile
| Molecular Formula | C17H13NS |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 4.63768 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.07687 |
| Heavy Atoms | 19 |
| Complexity | 630.15656 |
Chemical Identifiers
| CAS Number | 130111-58-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2/C(=C/CC#N)/C3=CC=CC=C3S1 |
Product Overview
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile (CAS 130111-58-9), with molecular formula C17H13NS and molecular weight 263.08 g/mol. IUPAC: (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile.
Chemical Property Profile of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile
Property Insights of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile
The XLogP value of 4.63768 indicates that (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile 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 (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile?
The CAS number of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile is 130111-58-9.
What is the molecular formula of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile?
The molecular formula of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile is C17H13NS.
What is the molecular weight of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile?
The molecular weight of (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile is 263.08 g/mol.
Where can I buy (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile?
You can request a quote for (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.