RefChem:227839
TL;DR: RefChem:227839 (CAS 96401-68-2) 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-methyl-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-methyl-4-(piperidinomethyl)-, hydrochloride, 3,4-Dihydro-7-methyl-4-(1-piperidinomethyl)-1-benzoxepin-5(2H)-one hydrochloride, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(1-piperidinylmethyl)-, hydrochloride, 7-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(piperidinomethyl)-, hydrochloride, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(1-piperidinylmethyl)-, hydrochloride, 3,4-Dihydro-7-methyl-4-(1-piperidinomethyl)-1-benzoxepin-5(2H)-one hydrochloride, AC1L1M8J, LS-42543, 7-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride, 96401-68-2
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | -1.35 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 96401-68-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | HXVSRHFBERGWGN-UHFFFAOYSA-N |
Product Overview
RefChem:227839 (CAS 96401-68-2), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: 7-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride.
Chemical Property Profile of RefChem:227839
Property Insights of RefChem:227839
The XLogP value of -1.35 indicates that RefChem:227839 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:227839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227839 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:227839?
The CAS number of RefChem:227839 is 96401-68-2.
What is the molecular formula of RefChem:227839?
The molecular formula of RefChem:227839 is C17H24ClNO2.
What is the molecular weight of RefChem:227839?
The molecular weight of RefChem:227839 is 309.15 g/mol.
Where can I buy RefChem:227839?
You can request a quote for RefChem:227839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.