![(2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide structure](/static/products/620/620558-90-9.png)
(2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
TL;DR: (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide (CAS 620558-90-9) is a chemical compound with molecular formula C27H35NO3S and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
Also Known As: (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide, (E)-3-(4-(tert-butyl)phenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-isopropylbenzyl)acrylamide, (E)-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide, N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]-3-(4-tert-butylphenyl)prop-2-enamide
| Molecular Formula | C27H35NO3S |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 5.3366 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.23376 |
| Heavy Atoms | 32 |
| Complexity | 1059.3798 |
Chemical Identifiers
| CAS Number | 620558-90-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=C(C=C3)C(C)(C)C |
Product Overview
(2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide (CAS 620558-90-9), with molecular formula C27H35NO3S and molecular weight 453.23 g/mol. IUPAC: (E)-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
Property Insights of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
The XLogP value of 5.3366 indicates that (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide?
The CAS number of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide is 620558-90-9.
What is the molecular formula of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide?
The molecular formula of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide is C27H35NO3S.
What is the molecular weight of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide?
The molecular weight of (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide is 453.23 g/mol.
Where can I buy (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide?
You can request a quote for (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.