Dothiepin, Z-
TL;DR: Dothiepin, Z- (CAS 1153-06-6) is a chemical compound with molecular formula C19H21NS and molecular weight 295.14 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)-N,N-dimethylpropan-1-amine
Also Known As: Dothiepin, cis-dothiepin, Dosulepin, Dothiepin, Z-, Dosulepine
| Molecular Formula | C19H21NS |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 4.6757 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.13947 |
| Heavy Atoms | 21 |
| Complexity | 608.62085 |
Chemical Identifiers
| CAS Number | 1153-06-6 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31 |
Product Overview
Dothiepin, Z- (CAS 1153-06-6), with molecular formula C19H21NS and molecular weight 295.14 g/mol. IUPAC: (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of Dothiepin, Z-
Property Insights of Dothiepin, Z-
The XLogP value of 4.6757 indicates that Dothiepin, Z- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Dothiepin, Z- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dothiepin, Z- 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 Dothiepin, Z-?
The CAS number of Dothiepin, Z- is 1153-06-6.
What is the molecular formula of Dothiepin, Z-?
The molecular formula of Dothiepin, Z- is C19H21NS.
What is the molecular weight of Dothiepin, Z-?
The molecular weight of Dothiepin, Z- is 295.14 g/mol.
Where can I buy Dothiepin, Z-?
You can request a quote for Dothiepin, Z- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dothiepin, Z-?
Yes, KEHONG BIO provides custom synthesis services for Dothiepin, Z- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.