RefChem:1078819
TL;DR: RefChem:1078819 (CAS 85179-98-2) is a chemical compound with molecular formula C15H20ClNO2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1-benzothiophene-3-carbonyloxy)-2-methylpropan-2-yl]-dimethylazanium chloride
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride, 2-(Dimethylamino)-2-methylpropyl benzo(b)thiophene-3-carboxylate hydrochloride, [1-(1-benzothiophene-3-carbonyloxy)-2-methylpropan-2-yl]-dimethylazanium chloride, RefChem:1078819
| Molecular Formula | C15H20ClNO2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | -1.01 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09033 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 85179-98-2 |
|---|---|
| SMILES | CC(C)(COC(=O)C1=CSC2=CC=CC=C21)[NH+](C)C.[Cl-] |
| InChIKey | HAYXKRNMCCWTCG-UHFFFAOYSA-N |
Product Overview
RefChem:1078819 (CAS 85179-98-2), with molecular formula C15H20ClNO2S and molecular weight 313.09 g/mol. IUPAC: [1-(1-benzothiophene-3-carbonyloxy)-2-methylpropan-2-yl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1078819
Property Insights of RefChem:1078819
The XLogP value of -1.01 indicates that RefChem:1078819 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.0 Ų, RefChem:1078819 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078819 has 1 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:1078819?
The CAS number of RefChem:1078819 is 85179-98-2.
What is the molecular formula of RefChem:1078819?
The molecular formula of RefChem:1078819 is C15H20ClNO2S.
What is the molecular weight of RefChem:1078819?
The molecular weight of RefChem:1078819 is 313.09 g/mol.
Where can I buy RefChem:1078819?
You can request a quote for RefChem:1078819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078819?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.