![二甲基氨基甲酸苯并[b]噻吩-4-基酯 structure](/static/products/1016/1016-46-2.webp)
二甲基氨基甲酸苯并[b]噻吩-4-基酯
TL;DR: 二甲基氨基甲酸苯并[b]噻吩-4-基酯 (CAS 1016-46-2) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基氨基甲酸苯并[b]噻吩-4-基酯
1-benzothiophen-4-yl N,N-dimethylcarbamate
Also Known As: Mobil MC-740, starbld0037536, Benzo(B)thien-4-yl dimethylcarbamate, 1-benzothiophen-4-yl N,N-dimethylcarbamate, CARBAMIC ACID, DIMETHYL-, BENZO(b)THIEN-4-YL ESTER
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 1016-46-2 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C2C=CSC2=CC=C1 |
| InChIKey | NUELYOQGOJBUHL-UHFFFAOYSA-N |
Product Overview
二甲基氨基甲酸苯并[b]噻吩-4-基酯 (CAS 1016-46-2), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 1-benzothiophen-4-yl N,N-dimethylcarbamate.
Chemical Property Profile of 二甲基氨基甲酸苯并[b]噻吩-4-基酯
Property Insights of 二甲基氨基甲酸苯并[b]噻吩-4-基酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基氨基甲酸苯并[b]噻吩-4-基酯. With a topological polar surface area (TPSA) of 57.8 Ų, 二甲基氨基甲酸苯并[b]噻吩-4-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基氨基甲酸苯并[b]噻吩-4-基酯 has 0 hydrogen bond donor(s) and 3 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 二甲基氨基甲酸苯并[b]噻吩-4-基酯?
The CAS number of 二甲基氨基甲酸苯并[b]噻吩-4-基酯 is 1016-46-2.
What is the molecular formula of 二甲基氨基甲酸苯并[b]噻吩-4-基酯?
The molecular formula of 二甲基氨基甲酸苯并[b]噻吩-4-基酯 is C11H11NO2S.
What is the molecular weight of 二甲基氨基甲酸苯并[b]噻吩-4-基酯?
The molecular weight of 二甲基氨基甲酸苯并[b]噻吩-4-基酯 is 221.05 g/mol.
Where can I buy 二甲基氨基甲酸苯并[b]噻吩-4-基酯?
You can request a quote for 二甲基氨基甲酸苯并[b]噻吩-4-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基氨基甲酸苯并[b]噻吩-4-基酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲基氨基甲酸苯并[b]噻吩-4-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.