RefChem:268427
TL;DR: RefChem:268427 (CAS 1676-28-4) is a chemical compound with molecular formula C14H25ClN2O and molecular weight 272.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)propyl]azanium chloride
Also Known As: 2H-Azepin-2-one, 1,3-dihydro-1-(3-dimethylaminopropyl)-3,5,7-trimethyl-, hydrochloride, 1-(3-Dimethylaminopropyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one hydrochloride, dimethyl-[3-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)propyl]azanium chloride, 2H-Azepin-2-one, 1-[3-(dimethylamino)propyl]-1,3-dihydro-3,5,7-trimethyl-, monohydrochloride, RefChem:268427
| Molecular Formula | C14H25ClN2O |
|---|---|
| Molecular Weight | 272.17 g/mol |
| LogP | -2.15 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.16553 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 1676-28-4 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CCC[NH+](C)C)C)C.[Cl-] |
| InChIKey | SCJRVCGEYWPLAA-UHFFFAOYSA-N |
Product Overview
RefChem:268427 (CAS 1676-28-4), with molecular formula C14H25ClN2O and molecular weight 272.17 g/mol. IUPAC: dimethyl-[3-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)propyl]azanium chloride.
Chemical Property Profile of RefChem:268427
Property Insights of RefChem:268427
The XLogP value of -2.15 indicates that RefChem:268427 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:268427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268427 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:268427?
The CAS number of RefChem:268427 is 1676-28-4.
What is the molecular formula of RefChem:268427?
The molecular formula of RefChem:268427 is C14H25ClN2O.
What is the molecular weight of RefChem:268427?
The molecular weight of RefChem:268427 is 272.17 g/mol.
Where can I buy RefChem:268427?
You can request a quote for RefChem:268427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268427?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.