RefChem:331853
TL;DR: RefChem:331853 (CAS 101491-60-5) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium chloride
Also Known As: 2,4-Dimethylbenzyl N-(2-(diethylamino)ethyl)carbamate hydrochloride, Carbamic acid, (2-(diethylamino)ethyl)-, 2,4-dimethylbenzyl ester, monohydrochloride, 2-[(2,4-Dimethylphenyl)methoxycarbonylamino]ethyl-diethylazaniumchloride, 2-[(2,4-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium, 2-[(2,4-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium chloride
| Molecular Formula | C16H27ClN2O2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | -1.54 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 101491-60-5 |
|---|---|
| SMILES | CC[NH+](CC)CCNC(=O)OCC1=C(C=C(C=C1)C)C.[Cl-] |
| InChIKey | XKLCCPGOXRHFJN-UHFFFAOYSA-N |
Product Overview
RefChem:331853 (CAS 101491-60-5), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: 2-[(2,4-dimethylphenyl)methoxycarbonylamino]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:331853
Property Insights of RefChem:331853
The XLogP value of -1.54 indicates that RefChem:331853 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:331853 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331853 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
Frequently Asked Questions
What is the CAS number of RefChem:331853?
The CAS number of RefChem:331853 is 101491-60-5.
What is the molecular formula of RefChem:331853?
The molecular formula of RefChem:331853 is C16H27ClN2O2.
What is the molecular weight of RefChem:331853?
The molecular weight of RefChem:331853 is 314.18 g/mol.
Where can I buy RefChem:331853?
You can request a quote for RefChem:331853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331853?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.