4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride
TL;DR: 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride (CAS 42985-05-7) is a chemical compound with molecular formula C22H25Cl2NO and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(8-chloro-5-phenyl-2,3-dihydro-1-benzoxepin-4-yl)methyl]piperidine;hydrochloride
Also Known As: 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride, Piperidine, 1-((8-chloro-2,3-dihydro-5-phenyl-1-benzoxepin-4-yl)methyl)-, hydrochloride, 1-((8-Chloro-2,3-dihydro-5-phenyl-1-benzoxepin-4-yl)methyl)piperidine hydrochloride, 1-[(8-chloro-5-phenyl-2,3-dihydro-1-benzoxepin-4-yl)methyl]piperidine hydrochloride(1:1), 1-[(8-chloro-5-phenyl-2,3-dihydro-1-benzoxepin-4-yl)methyl]piperidine hydrochloride
| Molecular Formula | C22H25Cl2NO |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 5.8321 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.13132 |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 42985-05-7 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(C3=C(C=C(C=C3)Cl)OCC2)C4=CC=CC=C4.Cl |
| InChIKey | LFHBNWMKIGBLHS-UHFFFAOYSA-N |
Product Overview
4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride (CAS 42985-05-7), with molecular formula C22H25Cl2NO and molecular weight 389.13 g/mol. IUPAC: 1-[(8-chloro-5-phenyl-2,3-dihydro-1-benzoxepin-4-yl)methyl]piperidine;hydrochloride.
Chemical Property Profile of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride
Property Insights of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride
The XLogP value of 5.8321 indicates that 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride?
The CAS number of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride is 42985-05-7.
What is the molecular formula of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride?
The molecular formula of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride is C22H25Cl2NO.
What is the molecular weight of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride?
The molecular weight of 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride is 389.13 g/mol.
Where can I buy 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride?
You can request a quote for 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-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 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Piperidinomethyl)-5-phenyl-8-chloro-2,3-dihydro-1-benzoxepin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.