3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)
TL;DR: 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) (CAS 97874-44-7) is a chemical compound with molecular formula C16H21NO8S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-5,6,7-trimethoxy-3H-2-benzothiophen-1-one;oxalic acid
Also Known As: 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1), Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-5,6,7-trimethoxy-, ethanedioate (1:1), 3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-2-benzothiophen-1-one; oxalic acid, Oxalic acid--3-[(dimethylamino)methyl]-5,6,7-trimethoxy-2-benzothiophen-1(3H)-one (1/1), RefChem:326305
| Molecular Formula | C16H21NO8S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 1.3577 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.0988 |
| Heavy Atoms | 26 |
| Complexity | 691.9804 |
Chemical Identifiers
| CAS Number | 97874-44-7 |
|---|---|
| SMILES | CN(C)CC1C2=CC(=C(C(=C2C(=O)S1)OC)OC)OC.C(=O)(C(=O)O)O |
Product Overview
3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) (CAS 97874-44-7), with molecular formula C16H21NO8S and molecular weight 387.10 g/mol. IUPAC: 3-[(dimethylamino)methyl]-5,6,7-trimethoxy-3H-2-benzothiophen-1-one;oxalic acid.
Chemical Property Profile of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)
Property Insights of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)
The XLogP value of 1.3577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1). The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1). Following Lipinski's Rule of Five, 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) has 2 hydrogen bond donor(s) and 8 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 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)?
The CAS number of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) is 97874-44-7.
What is the molecular formula of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)?
The molecular formula of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) is C16H21NO8S.
What is the molecular weight of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)?
The molecular weight of 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) is 387.10 g/mol.
Where can I buy 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)?
You can request a quote for 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one 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 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-((Dimethylamino)methyl)-5,6,7-trimethoxybenzo(c)thiophen-1(3H)-one ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.