RefChem:227832
TL;DR: RefChem:227832 (CAS 96401-77-3) is a chemical compound with molecular formula C18H26ClNO2 and molecular weight 323.17 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-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(piperidinomethyl)-, hydrochloride, 7,8-Dimethyl-4-(piperidinomethyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride, 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride, RefChem:227832
| Molecular Formula | C18H26ClNO2 |
|---|---|
| Molecular Weight | 323.17 g/mol |
| LogP | -1.04 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.1652 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 96401-77-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | JYQSSVXGYUHXOL-UHFFFAOYSA-N |
Product Overview
RefChem:227832 (CAS 96401-77-3), with molecular formula C18H26ClNO2 and molecular weight 323.17 g/mol. IUPAC: 7,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride.
Chemical Property Profile of RefChem:227832
Property Insights of RefChem:227832
The XLogP value of -1.04 indicates that RefChem:227832 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, RefChem:227832 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227832 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:227832?
The CAS number of RefChem:227832 is 96401-77-3.
What is the molecular formula of RefChem:227832?
The molecular formula of RefChem:227832 is C18H26ClNO2.
What is the molecular weight of RefChem:227832?
The molecular weight of RefChem:227832 is 323.17 g/mol.
Where can I buy RefChem:227832?
You can request a quote for RefChem:227832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227832?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.