Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate
TL;DR: Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate (CAS 24005-61-6) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(1-benzothiophen-3-ylmethyl)propanedioate
Also Known As: DIETHYL 2-ACETAMIDO-2-(BENZO(B)THIOPHENE-3-YLMETHYL)MALONATE, diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate, diethyl 2-acetamido-2-(1-benzothiophen-3-ylmethyl)propanedioate, Diethyl 2-acetamido-2-(benzo[b]thiophen-3-ylmethyl)malonate, Propanedioicacid, 2-(acetylamino)-2-(benzo[b]thien-3-ylmethyl)-, 1,3-diethyl ester
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 24005-61-6 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CSC2=CC=CC=C21)(C(=O)OCC)NC(=O)C |
| InChIKey | ANXCOAFDJGTKTG-UHFFFAOYSA-N |
Product Overview
Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate (CAS 24005-61-6), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: diethyl 2-acetamido-2-(1-benzothiophen-3-ylmethyl)propanedioate.
Chemical Property Profile of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate
Property Insights of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate
The XLogP value of 3.1 indicates that Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate has 1 hydrogen bond donor(s) and 6 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 Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate?
The CAS number of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate is 24005-61-6.
What is the molecular formula of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate?
The molecular formula of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate is C18H21NO5S.
What is the molecular weight of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate?
The molecular weight of Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate is 363.11 g/mol.
Where can I buy Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate?
You can request a quote for Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.