C21H22ClNO4S
TL;DR: C21H22ClNO4S (CAS 620555-86-4) is a chemical compound with molecular formula C21H22ClNO4S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
Also Known As: (2E)-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)prop-2-enamide, (E)-3-(2-Chloro-phenyl)-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-(4-methoxy-benzyl)-acryla mide, (E)-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)acrylamide, (E)-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
| Molecular Formula | C21H22ClNO4S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.5777 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.0958 |
| Heavy Atoms | 28 |
| Complexity | 970.155 |
Chemical Identifiers
| CAS Number | 620555-86-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=CC=C3Cl |
Product Overview
C21H22ClNO4S (CAS 620555-86-4), with molecular formula C21H22ClNO4S and molecular weight 419.10 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.
Chemical Property Profile of C21H22ClNO4S
Property Insights of C21H22ClNO4S
The XLogP value of 3.5777 indicates that C21H22ClNO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22ClNO4S. Following Lipinski's Rule of Five, C21H22ClNO4S has 0 hydrogen bond donor(s) and 4 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 C21H22ClNO4S?
The CAS number of C21H22ClNO4S is 620555-86-4.
What is the molecular formula of C21H22ClNO4S?
The molecular formula of C21H22ClNO4S is C21H22ClNO4S.
What is the molecular weight of C21H22ClNO4S?
The molecular weight of C21H22ClNO4S is 419.10 g/mol.
Where can I buy C21H22ClNO4S?
You can request a quote for C21H22ClNO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22ClNO4S?
Yes, KEHONG BIO provides custom synthesis services for C21H22ClNO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.