RefChem:1074279
TL;DR: RefChem:1074279 (CAS 56071-22-8) 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.
(4R,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride
Also Known As: (4R,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride, 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (Z)-, cis-4-(1-Piperidino)-7,8-dimethyl-2,3,4,5-tetrahydro-1(2H)-benzoxepin-5-ol hydrochloride, cis-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 | 56071-22-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCC[C@H]([C@H]2O)[NH+]3CCCCC3.[Cl-] |
| InChIKey | VMCNJWIZXJSWKB-KALLACGZSA-N |
Product Overview
RefChem:1074279 (CAS 56071-22-8), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: (4R,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:1074279
Property Insights of RefChem:1074279
The XLogP value of -1.44 indicates that RefChem:1074279 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:1074279 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074279 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:1074279?
The CAS number of RefChem:1074279 is 56071-22-8.
What is the molecular formula of RefChem:1074279?
The molecular formula of RefChem:1074279 is C17H26ClNO2.
What is the molecular weight of RefChem:1074279?
The molecular weight of RefChem:1074279 is 311.17 g/mol.
Where can I buy RefChem:1074279?
You can request a quote for RefChem:1074279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074279?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.