cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
TL;DR: cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride (CAS 5336-16-3) is a chemical compound with molecular formula C20H25Cl2NO2 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R,5S)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine;hydrochloride
Also Known As: cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride, Ethanamine, 2-((8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy)-N,N-dimethyl-, hydrochloride, cis-, 2-{[(4r,5s)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy}-n,n-dimethylethanamine hydrochloride(1:1), 2-[(8-Chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1), 2-[[(4R,5S)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine hydrochloride
| Molecular Formula | C20H25Cl2NO2 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 4.9474 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.12622 |
| Heavy Atoms | 25 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 5336-16-3 |
|---|---|
| SMILES | CN(C)CCO[C@H]1[C@H](CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl |
| InChIKey | KFCSNDPJFSVSET-XLCHORMMSA-N |
Product Overview
cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride (CAS 5336-16-3), with molecular formula C20H25Cl2NO2 and molecular weight 381.13 g/mol. IUPAC: 2-[[(4R,5S)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
Property Insights of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
The XLogP value of 4.9474 indicates that cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride has 1 hydrogen bond donor(s) and 3 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 cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride?
The CAS number of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride is 5336-16-3.
What is the molecular formula of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride?
The molecular formula of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride is C20H25Cl2NO2.
What is the molecular weight of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride?
The molecular weight of cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride is 381.13 g/mol.
Where can I buy cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride?
You can request a quote for cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.