RefChem:1075251
TL;DR: RefChem:1075251 (CAS 968-03-6) is a chemical compound with molecular formula C18H31ClN2O and molecular weight 326.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]acetamide;hydrochloride
Also Known As: NIOSH/AB5060000, Acetamide, 2-(diethylamino)-N-(5-isopropyl-2-methylbenzyl)-N-methyl-, monohydrochloride, 2-(Diethylamino)-N-(5-isopropyl-2-methylbenzyl)-N-methylacetamide monohydrochloride, N-(Carvacrylmethyl)-2-(diethylamino)-N-methylacetamide hydrochloride, Acetamide, N-(carvacrylmethyl)-2-(diethylamino)-N-methyl-, hydrochloride
| Molecular Formula | C18H31ClN2O |
|---|---|
| Molecular Weight | 326.21 g/mol |
| LogP | 3.84042 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.2125 |
| Heavy Atoms | 22 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 968-03-6 |
|---|---|
| SMILES | CCN(CC)CC(=O)N(C)CC1=C(C=CC(=C1)C(C)C)C.Cl |
| InChIKey | YNRYRMHQKNYSFS-UHFFFAOYSA-N |
Product Overview
RefChem:1075251 (CAS 968-03-6), with molecular formula C18H31ClN2O and molecular weight 326.21 g/mol. IUPAC: 2-(diethylamino)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]acetamide;hydrochloride.
Chemical Property Profile of RefChem:1075251
Property Insights of RefChem:1075251
The XLogP value of 3.84042 indicates that RefChem:1075251 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:1075251 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075251 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:1075251?
The CAS number of RefChem:1075251 is 968-03-6.
What is the molecular formula of RefChem:1075251?
The molecular formula of RefChem:1075251 is C18H31ClN2O.
What is the molecular weight of RefChem:1075251?
The molecular weight of RefChem:1075251 is 326.21 g/mol.
Where can I buy RefChem:1075251?
You can request a quote for RefChem:1075251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075251?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.