1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride
TL;DR: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride (CAS 56071-18-2) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Also Known As: 1-BENZOXEPIN-5(2H)-ONE, 3,4-DIHYDRO-7,8-DIMETHYL-4-PIPERIDINO-, HYDROCHLORIDE, 4-(1-Piperidino)-7,8-dimethyl-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride, 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-onechloride, 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride, RefChem:1054921
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 56071-18-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCC(C2=O)[NH+]3CCCCC3.[Cl-] |
| InChIKey | PKPLQPRDYKPHNC-UHFFFAOYSA-N |
Product Overview
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride (CAS 56071-18-2), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: 7,8-dimethyl-4-piperidin-1-ium-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one chloride.
Chemical Property Profile of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride
Property Insights of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride
The XLogP value of -1.29 indicates that 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, 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 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride?
The CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride is 56071-18-2.
What is the molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride?
The molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride is C17H24ClNO2.
What is the molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride?
The molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride is 309.15 g/mol.
Where can I buy 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride?
You can request a quote for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-piperidino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.