CID 50326
TL;DR: CID 50326 (CAS 72291-43-1) is a chemical compound with molecular formula C18H20ClNS2 and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]-N,N-dimethylethanamine
Also Known As: AE-641/30114006, 8-Chloro-10-[[2- ethyl]thio]-10,11-dihydrodibenzo[b,f]thiepin, 2-[(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]-n,n-dimethylethanamine, 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]-N,N-dimethylethanamine, 8-Chloro-10-[[2-(dimethylamino)ethyl]thio]-10,11-dihydrodibenzo[b,f]thiepin
| Molecular Formula | C18H20ClNS2 |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07257 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 72291-43-1 |
|---|---|
| SMILES | CN(C)CCSC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
| InChIKey | NVCDUOHNVZCSOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 50326 (CAS 72291-43-1), with molecular formula C18H20ClNS2 and molecular weight 349.07 g/mol. IUPAC: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]-N,N-dimethylethanamine.
Chemical Property Profile of CID 50326
Property Insights of CID 50326
The XLogP value of 5.2 indicates that CID 50326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, CID 50326 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 50326 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 50326?
The CAS number of CID 50326 is 72291-43-1.
What is the molecular formula of CID 50326?
The molecular formula of CID 50326 is C18H20ClNS2.
What is the molecular weight of CID 50326?
The molecular weight of CID 50326 is 349.07 g/mol.
Where can I buy CID 50326?
You can request a quote for CID 50326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 50326?
Yes, KEHONG BIO provides custom synthesis services for CID 50326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.