RefChem:268429
TL;DR: RefChem:268429 (CAS 1676-24-0) is a chemical compound with molecular formula C18H30N2O and molecular weight 290.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-1-[2-(2,2,4-trimethylpyrrolidin-1-yl)ethyl]-3H-azepin-2-one
Also Known As: 5-21-07-00244 (Beilstein Handbook Reference), 1-(2-(2,2,4-Trimethyl-1-pyrrolidinyl)ethyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one, 3,5,7-trimethyl-1-[2-(2,2,4-trimethylpyrrolidin-1-yl)ethyl]-3H-azepin-2-one, 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-(2-(2,2,4-trimethyl-1-pyrrolidinyl)ethyl)-, 1,3-Dihydro-3,5,7-trimethyl-1-[2-(2,2,4-trimethyl-1-pyrrolidinyl)ethyl]-2H-azepin-2-one
| Molecular Formula | C18H30N2O |
|---|---|
| Molecular Weight | 290.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.2358 |
| Heavy Atoms | 21 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 1676-24-0 |
|---|---|
| SMILES | CC1CC(N(C1)CCN2C(=CC(=CC(C2=O)C)C)C)(C)C |
| InChIKey | CEDKAQMVBJYYBM-UHFFFAOYSA-N |
Product Overview
RefChem:268429 (CAS 1676-24-0), with molecular formula C18H30N2O and molecular weight 290.24 g/mol. IUPAC: 3,5,7-trimethyl-1-[2-(2,2,4-trimethylpyrrolidin-1-yl)ethyl]-3H-azepin-2-one.
Chemical Property Profile of RefChem:268429
Property Insights of RefChem:268429
The XLogP value of 3.1 indicates that RefChem:268429 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:268429 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268429 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:268429?
The CAS number of RefChem:268429 is 1676-24-0.
What is the molecular formula of RefChem:268429?
The molecular formula of RefChem:268429 is C18H30N2O.
What is the molecular weight of RefChem:268429?
The molecular weight of RefChem:268429 is 290.24 g/mol.
Where can I buy RefChem:268429?
You can request a quote for RefChem:268429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268429?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.