Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino
TL;DR: Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino (CAS 588678-15-3) is a chemical compound with molecular formula C24H23NO3S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino, Ethyl 2-(3-phenylprop-2-ynoylamino)-6-tert-butyl-benzothiophene-3-carboxylate, ethyl 6-(tert-butyl)-2-(3-phenylprop-2-ynoylamino)benzo[b]thiophene-3-carboxyl ate, ETHYL 6-TERT-BUTYL-2-(3-PHENYLPROP-2-YNAMIDO)-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-1-benzothiophene-3-carboxylate
| Molecular Formula | C24H23NO3S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 5.3657 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.13986 |
| Heavy Atoms | 29 |
| Complexity | 1111.9637 |
Chemical Identifiers
| CAS Number | 588678-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C#CC3=CC=CC=C3 |
Product Overview
Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino (CAS 588678-15-3), with molecular formula C24H23NO3S and molecular weight 405.14 g/mol. IUPAC: ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino
Property Insights of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino
The XLogP value of 5.3657 indicates that Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino?
The CAS number of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino is 588678-15-3.
What is the molecular formula of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino?
The molecular formula of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino is C24H23NO3S.
What is the molecular weight of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino?
The molecular weight of Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino is 405.14 g/mol.
Where can I buy Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino?
You can request a quote for Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(2-methyl-2-propanyl)-2-[(3-phenyl-2-propynoyl)amino and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.