Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) (CAS 97874-29-8) is a chemical compound with molecular formula C15H19NO5S and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylaminomethyl)-3H-2-benzothiophen-1-one;oxalic acid
Also Known As: 3-((Diethylamino)methyl)benzo(c)thiophen-1(3H)-one ethanedioate (1:1), Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1), 3-(diethylaminomethyl)-3H-2-benzothiophen-1-one,oxalic acid, 3-(diethylaminomethyl)-3H-2-benzothiophen-1-one; oxalic acid, Oxalic acid--3-[(diethylamino)methyl]-2-benzothiophen-1(3H)-one (1/1)
| Molecular Formula | C15H19NO5S |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.1121 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0984 |
| Heavy Atoms | 22 |
| Complexity | 544.6187 |
Chemical Identifiers
| CAS Number | 97874-29-8 |
|---|---|
| SMILES | CCN(CC)CC1C2=CC=CC=C2C(=O)S1.C(=O)(C(=O)O)O |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) (CAS 97874-29-8), with molecular formula C15H19NO5S and molecular weight 325.10 g/mol. IUPAC: 3-(diethylaminomethyl)-3H-2-benzothiophen-1-one;oxalic acid.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)
The XLogP value of 2.1121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1). The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) 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 Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) is 97874-29-8.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) is C15H19NO5S.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) is 325.10 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-((diethylamino)methyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.