![1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone structure](/static/products/868/868255-89-4.png)
1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone
TL;DR: 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone (CAS 868255-89-4) is a chemical compound with molecular formula C21H25ClO3S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one
Also Known As: 1-(4-chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone, 1-(4-chlorophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one, 1-(4-chlorophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methanesulfonyl]propan-1-one
| Molecular Formula | C21H25ClO3S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 5.0699 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1213 |
| Heavy Atoms | 26 |
| Complexity | 913.20685 |
Chemical Identifiers
| CAS Number | 868255-89-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)CS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Cl)C)C |
Product Overview
1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone (CAS 868255-89-4), with molecular formula C21H25ClO3S and molecular weight 392.12 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone
Property Insights of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone
The XLogP value of 5.0699 indicates that 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone 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 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone?
The CAS number of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone is 868255-89-4.
What is the molecular formula of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone?
The molecular formula of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone is C21H25ClO3S.
What is the molecular weight of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone?
The molecular weight of 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone is 392.12 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone?
You can request a quote for 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)sulfonyl]-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.