C20H18Cl3NO3S
TL;DR: C20H18Cl3NO3S (CAS 577989-33-4) is a chemical compound with molecular formula C20H18Cl3NO3S and molecular weight 457.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Also Known As: (2E)-N-(3-chlorobenzyl)-3-(2,4-dichlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide, (E)-N-(3-chlorobenzyl)-3-(2,4-dichlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acrylamide, (E)-N-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
| Molecular Formula | C20H18Cl3NO3S |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | 4.8759 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0073 |
| Heavy Atoms | 28 |
| Complexity | 1021.106 |
Chemical Identifiers
| CAS Number | 577989-33-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl |
Product Overview
C20H18Cl3NO3S (CAS 577989-33-4), with molecular formula C20H18Cl3NO3S and molecular weight 457.01 g/mol. IUPAC: (E)-N-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of C20H18Cl3NO3S
Property Insights of C20H18Cl3NO3S
The XLogP value of 4.8759 indicates that C20H18Cl3NO3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, C20H18Cl3NO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H18Cl3NO3S 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 C20H18Cl3NO3S?
The CAS number of C20H18Cl3NO3S is 577989-33-4.
What is the molecular formula of C20H18Cl3NO3S?
The molecular formula of C20H18Cl3NO3S is C20H18Cl3NO3S.
What is the molecular weight of C20H18Cl3NO3S?
The molecular weight of C20H18Cl3NO3S is 457.01 g/mol.
Where can I buy C20H18Cl3NO3S?
You can request a quote for C20H18Cl3NO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18Cl3NO3S?
Yes, KEHONG BIO provides custom synthesis services for C20H18Cl3NO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.