RefChem:331854
TL;DR: RefChem:331854 (CAS 101491-61-6) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.17612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,5-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium chloride
Also Known As: 2,5-Dimethylbenzyl N-(2-(diethylamino)ethyl)carbamate hydrochloride, Carbamic acid, (2-(diethylamino)ethyl)-, 2,5-dimethylbenzyl ester, monohydrochloride, 2-[(2,5-Dimethylphenyl)methoxycarbonylamino]ethyl-diethylazaniumchloride, 2-[(2,5-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium, 2-[(2,5-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium chloride
Technical Specifications
| Molecular Formula | C16H27ClN2O2 |
| Molecular Weight | 314.17612 g/mol |
| XLogP | -1.54 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.17612 Da |
| Heavy Atoms | 21 |
| Complexity | 280.0 |
| SMILES | CC[NH+](CC)CCNC(=O)OCC1=C(C=CC(=C1)C)C.[Cl-] |
| InChIKey | KHNAZGKCNTYISY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331854
Property Insights of RefChem:331854
The XLogP value of -1.54 indicates that RefChem:331854 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:331854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331854 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:331854?
The CAS number of RefChem:331854 is 101491-61-6.
What is the molecular formula of RefChem:331854?
The molecular formula of RefChem:331854 is C16H27ClN2O2.
What is the molecular weight of RefChem:331854?
The molecular weight of RefChem:331854 is 314.17612 g/mol.
Where can I buy RefChem:331854?
You can request a quote for RefChem:331854 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331854?
Yes, CoreyChem provides custom synthesis services for RefChem:331854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.