![2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate structure](/static/products/882/882291-64-7.png)
2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate
TL;DR: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate (CAS 882291-64-7) is a chemical compound with molecular formula C20H19ClN2O3S2 and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate
Also Known As: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate, 2-[(3-cyano-5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[c]thiophen-1-yl)thio]ethyl N-(3-chlorophenyl)carbamate
| Molecular Formula | C20H19ClN2O3S2 |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | 5.76908 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.05255 |
| Heavy Atoms | 28 |
| Complexity | 962.84576 |
Chemical Identifiers
| CAS Number | 882291-64-7 |
|---|---|
| SMILES | CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC(=CC=C3)Cl)C#N)C |
Product Overview
2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate (CAS 882291-64-7), with molecular formula C20H19ClN2O3S2 and molecular weight 434.05 g/mol. IUPAC: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate
Property Insights of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate
The XLogP value of 5.76908 indicates that 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate. Following Lipinski's Rule of Five, 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate?
The CAS number of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate is 882291-64-7.
What is the molecular formula of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate?
The molecular formula of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate is C20H19ClN2O3S2.
What is the molecular weight of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate?
The molecular weight of 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate is 434.05 g/mol.
Where can I buy 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate?
You can request a quote for 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.