3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one
TL;DR: 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one (CAS 1676-50-2) is a chemical compound with molecular formula C16H26N2O and molecular weight 262.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one
Also Known As: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one, 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one, 1,3-Dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-2H-azepin-2-one, 2H-Azepin-2-one,1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl], 2H-Azepin-2-one,1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-
| Molecular Formula | C16H26N2O |
|---|---|
| Molecular Weight | 262.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.2045 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 1676-50-2 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CC(C)N2CCCC2)C)C |
| InChIKey | SJFGMTIVTZSZIV-UHFFFAOYSA-N |
Product Overview
3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one (CAS 1676-50-2), with molecular formula C16H26N2O and molecular weight 262.20 g/mol. IUPAC: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one.
Chemical Property Profile of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one
Property Insights of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one. With a topological polar surface area (TPSA) of 23.6 Ų, 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one 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 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one?
The CAS number of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one is 1676-50-2.
What is the molecular formula of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one?
The molecular formula of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one is C16H26N2O.
What is the molecular weight of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one?
The molecular weight of 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one is 262.20 g/mol.
Where can I buy 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one?
You can request a quote for 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.