RefChem:1054937
TL;DR: RefChem:1054937 (CAS 56071-24-0) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride
Also Known As: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (E)-, (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride, trans-4-(1-Piperidino)-7,8-dimethyl-2,3,4,5-tetrahydro-1(2H)-benzoxepin-5-ol hydrochloride, trans-7,8-Dimethyl-4-piperidino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochloride, 1-BENZOXEPIN-5-OL, 2,3,4,5-TETRAHYDRO-7,8-DIMETHYL-4-PIPERIDINO-, HYDROCHLORIDE,
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | -1.44 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 56071-24-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCC[C@@H]([C@H]2O)[NH+]3CCCCC3.[Cl-] |
| InChIKey | VMCNJWIZXJSWKB-NBLXOJGSSA-N |
Product Overview
RefChem:1054937 (CAS 56071-24-0), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride.
Chemical Property Profile of RefChem:1054937
Property Insights of RefChem:1054937
The XLogP value of -1.44 indicates that RefChem:1054937 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, RefChem:1054937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054937 has 2 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:1054937?
The CAS number of RefChem:1054937 is 56071-24-0.
What is the molecular formula of RefChem:1054937?
The molecular formula of RefChem:1054937 is C17H26ClNO2.
What is the molecular weight of RefChem:1054937?
The molecular weight of RefChem:1054937 is 311.17 g/mol.
Where can I buy RefChem:1054937?
You can request a quote for RefChem:1054937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.