(+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide
TL;DR: (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide (CAS 124645-45-0) is a chemical compound with molecular formula C22H27ClN2OS2 and molecular weight 434.13 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-6-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
Also Known As: (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide, AE-641/00771006, AE-641/30156007, Acetamide, 2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N-(2-(diethylamino)ethyl)-, (+-)-, 2-[(2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
| Molecular Formula | C22H27ClN2OS2 |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 5.2796 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.12534 |
| Heavy Atoms | 28 |
| Complexity | 810.8738 |
Chemical Identifiers
| CAS Number | 124645-45-0 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)CSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13 |
Product Overview
(+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide (CAS 124645-45-0), with molecular formula C22H27ClN2OS2 and molecular weight 434.13 g/mol. IUPAC: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide.
Chemical Property Profile of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide
Property Insights of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide
The XLogP value of 5.2796 indicates that (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide?
The CAS number of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide is 124645-45-0.
What is the molecular formula of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide?
The molecular formula of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide is C22H27ClN2OS2.
What is the molecular weight of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide?
The molecular weight of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide is 434.13 g/mol.
Where can I buy (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide?
You can request a quote for (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.