RefChem:268428
TL;DR: RefChem:268428 (CAS 1676-46-6) is a chemical compound with molecular formula C17H29ClN2O and molecular weight 312.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride
Also Known As: 2H-Azepin-2-one, 1,3-dihydro-1-(3-piperidinopropyl)-3,5,7-trimethyl-, hydrochloride, 1-(3-Piperidinopropyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one hydrochloride, 3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride, 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-[3-(1-piperidinyl)propyl]-, monohydrochloride, RefChem:268428
| Molecular Formula | C17H29ClN2O |
|---|---|
| Molecular Weight | 312.20 g/mol |
| LogP | -1.22 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.19684 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 1676-46-6 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CCC[NH+]2CCCCC2)C)C.[Cl-] |
| InChIKey | MRQJYWKDCHNDMJ-UHFFFAOYSA-N |
Product Overview
RefChem:268428 (CAS 1676-46-6), with molecular formula C17H29ClN2O and molecular weight 312.20 g/mol. IUPAC: 3,5,7-trimethyl-1-(3-piperidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride.
Chemical Property Profile of RefChem:268428
Property Insights of RefChem:268428
The XLogP value of -1.22 indicates that RefChem:268428 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:268428 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268428 has 1 hydrogen bond donor(s) and 2 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:268428?
The CAS number of RefChem:268428 is 1676-46-6.
What is the molecular formula of RefChem:268428?
The molecular formula of RefChem:268428 is C17H29ClN2O.
What is the molecular weight of RefChem:268428?
The molecular weight of RefChem:268428 is 312.20 g/mol.
Where can I buy RefChem:268428?
You can request a quote for RefChem:268428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.