2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride
TL;DR: 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride (CAS 87673-13-0) is a chemical compound with molecular formula C21H28ClNOS and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine;hydrochloride
Also Known As: 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride, Ethanamine, N,N-diethyl-2-((2-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-, hydrochloride, N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine hydrochloride, N,N-Diethyl-2-[(2-methyl-6,11-dihydrodibenzo[b,e]oxepin-11-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1), RefChem:339856
| Molecular Formula | C21H28ClNOS |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 5.47362 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.15802 |
| Heavy Atoms | 25 |
| Complexity | 687.3463 |
Chemical Identifiers
| CAS Number | 87673-13-0 |
|---|---|
| SMILES | CCN(CC)CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C.Cl |
Product Overview
2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride (CAS 87673-13-0), with molecular formula C21H28ClNOS and molecular weight 377.16 g/mol. IUPAC: N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine;hydrochloride.
Chemical Property Profile of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride
Property Insights of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride
The XLogP value of 5.47362 indicates that 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride 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 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride?
The CAS number of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride is 87673-13-0.
What is the molecular formula of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride?
The molecular formula of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride is C21H28ClNOS.
What is the molecular weight of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride?
The molecular weight of 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride is 377.16 g/mol.
Where can I buy 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride?
You can request a quote for 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.