1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate
TL;DR: 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate (CAS 61508-15-4) is a chemical compound with molecular formula C26H32ClNO4S and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one;2-(4-chlorophenoxy)-2-methylpropanoic acid
Also Known As: 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate, 1-Benzo(b)thien-3-yl-4-(diethylamino)-1-butanone 2-(4-chlorophenoxy)-2-methylpropanoate, 1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one; 2-(4-chlorophenoxy)-2-methylpropanoic acid, 2-(4-Chlorophenoxy)-2-methylpropanoic acid--1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one (1/1), RefChem:228880
| Molecular Formula | C26H32ClNO4S |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 6.788 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.17407 |
| Heavy Atoms | 33 |
| Complexity | 1041.8864 |
Chemical Identifiers
| CAS Number | 61508-15-4 |
|---|---|
| SMILES | CCN(CC)CCCC(=O)C1=CSC2=CC=CC=C21.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl |
Product Overview
1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate (CAS 61508-15-4), with molecular formula C26H32ClNO4S and molecular weight 489.17 g/mol. IUPAC: 1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one;2-(4-chlorophenoxy)-2-methylpropanoic acid.
Chemical Property Profile of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate
Property Insights of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate
The XLogP value of 6.788 indicates that 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate. Following Lipinski's Rule of Five, 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate?
The CAS number of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate is 61508-15-4.
What is the molecular formula of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate?
The molecular formula of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate is C26H32ClNO4S.
What is the molecular weight of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate?
The molecular weight of 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate is 489.17 g/mol.
Where can I buy 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate?
You can request a quote for 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, 2-(4-chlorophenoxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.