RefChem:378130
TL;DR: RefChem:378130 (CAS 1676-51-3) is a chemical compound with molecular formula C19H33IN2O and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-1-[2-(1,2,2,4-tetramethylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide
Also Known As: KST-1B0944, 1,2,2,4-tetramethyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1h-azepin-1-yl)ethyl]pyrrolidinium iodide, Pyrrolidinium, 1-(2-(1,3-dihydro-2-oxo-3,5,7-trimethyl-2H-azepin-1-yl)ethyl)-1,2,2,4-tetramethyl-, iodide, 2H-Azepin-2-one,1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl], 1,2,2,4-tetramethyl-1-(2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1H-azepin-1-yl)ethyl)pyrrolidin-1-ium iodide
| Molecular Formula | C19H33IN2O |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 0.58 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.16376 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 1676-51-3 |
|---|---|
| SMILES | CC1CC([N+](C1)(C)CCN2C(=CC(=CC(C2=O)C)C)C)(C)C.[I-] |
| InChIKey | DWBUQUUKZWIGIA-UHFFFAOYSA-M |
Product Overview
RefChem:378130 (CAS 1676-51-3), with molecular formula C19H33IN2O and molecular weight 432.16 g/mol. IUPAC: 3,5,7-trimethyl-1-[2-(1,2,2,4-tetramethylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide.
Chemical Property Profile of RefChem:378130
Property Insights of RefChem:378130
The XLogP value of 0.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378130. With a topological polar surface area (TPSA) of 20.3 Ų, RefChem:378130 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378130 has 0 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:378130?
The CAS number of RefChem:378130 is 1676-51-3.
What is the molecular formula of RefChem:378130?
The molecular formula of RefChem:378130 is C19H33IN2O.
What is the molecular weight of RefChem:378130?
The molecular weight of RefChem:378130 is 432.16 g/mol.
Where can I buy RefChem:378130?
You can request a quote for RefChem:378130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378130?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.