1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)
TL;DR: 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) (CAS 7565-81-3) is a chemical compound with molecular formula C18H18N4O8S and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-dimethylazanium;2,4,6-trinitrophenolate
Also Known As: alpha-(Dimethylaminomethyl)benzo(b)thiophene-3-methanol picrate, BENZO(b)THIOPHENE-3-METHANOL, alpha-(DIMETHYLAMINOMETHYL)-, PICRATE, [2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-dimethylazanium; 2,4,6-trinitrophenolate, 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1), Benzo[b]thiophene-3-methanol, .alpha.-[(dimethylamino)methyl]-, compd. with 2,4,6-trinitrophenol (1:1)
| Molecular Formula | C18H18N4O8S |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 1.56 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.08453 |
| Heavy Atoms | 31 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 7565-81-3 |
|---|---|
| SMILES | C[NH+](C)CC(C1=CSC2=CC=CC=C21)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CDBVCXKGDCGBCI-UHFFFAOYSA-N |
Product Overview
1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) (CAS 7565-81-3), with molecular formula C18H18N4O8S and molecular weight 450.08 g/mol. IUPAC: [2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-dimethylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)
Property Insights of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)
The XLogP value of 1.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1). The TPSA of 213.0 Ų indicates high polarity, suggesting 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) has 2 hydrogen bond donor(s) and 9 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 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)?
The CAS number of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) is 7565-81-3.
What is the molecular formula of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)?
The molecular formula of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) is C18H18N4O8S.
What is the molecular weight of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)?
The molecular weight of 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) is 450.08 g/mol.
Where can I buy 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)?
You can request a quote for 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzothiophen-3-yl)-2-(dimethylamino)ethan-1-ol--2,4,6-trinitrophenol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.