RefChem:327404
TL;DR: RefChem:327404 (CAS 3095-52-1) is a chemical compound with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-butoxycarbonyl-2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
Also Known As: Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, butyl ester, hydrochloride, 4-(2-(Diethylamino)acetamido)-3,5-dimethylbenzoic acid butyl ester hydrochloride, [2-(4-butoxycarbonyl-2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride, RefChem:327404
| Molecular Formula | C19H31ClN2O3 |
|---|---|
| Molecular Weight | 370.20 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 370.20233 |
| Heavy Atoms | 25 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 3095-52-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C[NH+](CC)CC)C.[Cl-] |
| InChIKey | GBPVPWXMNYATIL-UHFFFAOYSA-N |
Product Overview
RefChem:327404 (CAS 3095-52-1), with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol. IUPAC: [2-(4-butoxycarbonyl-2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:327404
Property Insights of RefChem:327404
The XLogP value of -0.87 indicates that RefChem:327404 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.8 Ų, RefChem:327404 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327404 has 2 hydrogen bond donor(s) and 4 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:327404?
The CAS number of RefChem:327404 is 3095-52-1.
What is the molecular formula of RefChem:327404?
The molecular formula of RefChem:327404 is C19H31ClN2O3.
What is the molecular weight of RefChem:327404?
The molecular weight of RefChem:327404 is 370.20 g/mol.
Where can I buy RefChem:327404?
You can request a quote for RefChem:327404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.