RefChem:327189
TL;DR: RefChem:327189 (CAS 100811-79-8) is a chemical compound with molecular formula C17H29ClN2O2S and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-4-butoxybenzoyl)sulfanylethyl-diethylazanium chloride
Also Known As: 2-Diethylaminoethyl 3-amino-4-butoxythiolbenzoate hydrochloride, 3-Amino-4-butoxythiobenzoic acid S-(2-(diethylamino)ethyl) ester hydrochloride, 2-(3-amino-4-butoxybenzoyl)sulfanylethyl-diethylazanium chloride, Benzoic acid, 3-amino-4-butoxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride, 2-(3-amino-4-butoxybenzoyl)sulfanylethyl-diethylazanium
| Molecular Formula | C17H29ClN2O2S |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | -0.75 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 360.16382 |
| Heavy Atoms | 23 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 100811-79-8 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C(=O)SCC[NH+](CC)CC)N.[Cl-] |
| InChIKey | LQGSNQGBQKDTKP-UHFFFAOYSA-N |
Product Overview
RefChem:327189 (CAS 100811-79-8), with molecular formula C17H29ClN2O2S and molecular weight 360.16 g/mol. IUPAC: 2-(3-amino-4-butoxybenzoyl)sulfanylethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:327189
Property Insights of RefChem:327189
The XLogP value of -0.75 indicates that RefChem:327189 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327189. Following Lipinski's Rule of Five, RefChem:327189 has 2 hydrogen bond donor(s) and 5 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:327189?
The CAS number of RefChem:327189 is 100811-79-8.
What is the molecular formula of RefChem:327189?
The molecular formula of RefChem:327189 is C17H29ClN2O2S.
What is the molecular weight of RefChem:327189?
The molecular weight of RefChem:327189 is 360.16 g/mol.
Where can I buy RefChem:327189?
You can request a quote for RefChem:327189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.