2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin
TL;DR: 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin (CAS 87673-21-0) is a chemical compound with molecular formula C22H28FNOS and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
Also Known As: 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin, 2-((2-Fluoro-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-N,N-bis(1-methylethyl)ethanamine, Ethanamine, N,N-bis(1-methylethyl)-2-((2-fluoro-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-, N-[2-[(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethyl]-N-propan-2-ylpropan-2-amine, N-{2-[(2-Fluoro-6,11-dihydrodibenzo[b,e]oxepin-11-yl)sulfanyl]ethyl}-N-(propan-2-yl)propan-2-amine
| Molecular Formula | C22H28FNOS |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 5.6595 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.18756 |
| Heavy Atoms | 26 |
| Complexity | 738.6721 |
Chemical Identifiers
| CAS Number | 87673-21-0 |
|---|---|
| SMILES | CC(C)N(CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)F)C(C)C |
Product Overview
2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin (CAS 87673-21-0), with molecular formula C22H28FNOS and molecular weight 373.19 g/mol. IUPAC: N-[2-[(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethyl]-N-propan-2-ylpropan-2-amine.
Chemical Property Profile of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin
Property Insights of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin
The XLogP value of 5.6595 indicates that 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin 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-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin 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-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin?
The CAS number of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin is 87673-21-0.
What is the molecular formula of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin?
The molecular formula of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin is C22H28FNOS.
What is the molecular weight of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin?
The molecular weight of 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin is 373.19 g/mol.
Where can I buy 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin?
You can request a quote for 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-11-(2-(diisopropylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.