RefChem:268422
TL;DR: RefChem:268422 (CAS 1900-35-2) is a chemical compound with molecular formula C16H27ClN2O and molecular weight 298.18 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-ium-1-ylpropyl)-3H-azepin-2-one chloride
Also Known As: 2H-Azepin-2-one, 1,3-dihydro-1-((2-methyl-2-(1-pyrrolidinyl)ethyl)-3,5,7-trimethyl-, hydrochloride, 3,5,7-Trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-onechloride, 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride, 2H-AZEPIN-2-ONE, 1,3-DIHYDRO-1-((2-METHYL-2-(1-PYRROLIDINYL)ETHYL)-3,5,7-TRIMETH, 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-, monohydrochloride
| Molecular Formula | C16H27ClN2O |
|---|---|
| Molecular Weight | 298.18 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.18118 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 1900-35-2 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CC(C)[NH+]2CCCC2)C)C.[Cl-] |
| InChIKey | ZUISNHWTLHLLDR-UHFFFAOYSA-N |
Product Overview
RefChem:268422 (CAS 1900-35-2), with molecular formula C16H27ClN2O and molecular weight 298.18 g/mol. IUPAC: 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride.
Chemical Property Profile of RefChem:268422
Property Insights of RefChem:268422
The XLogP value of -1.61 indicates that RefChem:268422 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:268422 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268422 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:268422?
The CAS number of RefChem:268422 is 1900-35-2.
What is the molecular formula of RefChem:268422?
The molecular formula of RefChem:268422 is C16H27ClN2O.
What is the molecular weight of RefChem:268422?
The molecular weight of RefChem:268422 is 298.18 g/mol.
Where can I buy RefChem:268422?
You can request a quote for RefChem:268422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268422?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.