RefChem:339817
TL;DR: RefChem:339817 (CAS 40400-44-0) 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,5R)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine;hydrochloride
Also Known As: trans-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin HCl hydrate, Ethanamine, 2-((8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy)-N,N-dimethyl-, hydrochloride, hydrate, trans- (1:1:1), Ethanamine, 2-((8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy)-N,N-dimethyl-, hydrochloride, hydrate, trans-(1:1:1), 2-[[(4R,5R)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethyl-ethanamine;hydrochloride, 2-[[(4R,5R)-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 | 40400-44-0 |
|---|---|
| SMILES | CN(C)CCO[C@@H]1[C@H](CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl |
| InChIKey | KFCSNDPJFSVSET-OGPPPPIKSA-N |
Product Overview
RefChem:339817 (CAS 40400-44-0), with molecular formula C20H25Cl2NO2 and molecular weight 381.13 g/mol. IUPAC: 2-[[(4R,5R)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of RefChem:339817
Property Insights of RefChem:339817
The XLogP value of 4.9474 indicates that RefChem:339817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, RefChem:339817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339817 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 RefChem:339817?
The CAS number of RefChem:339817 is 40400-44-0.
What is the molecular formula of RefChem:339817?
The molecular formula of RefChem:339817 is C20H25Cl2NO2.
What is the molecular weight of RefChem:339817?
The molecular weight of RefChem:339817 is 381.13 g/mol.
Where can I buy RefChem:339817?
You can request a quote for RefChem:339817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.