Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-
TL;DR: Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- (CAS 56957-81-4) is a chemical compound with molecular formula C17H21Cl4NO2S and molecular weight 443.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrachloro-4-decylsulfonylbenzonitrile
Also Known As: Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-, 4-(Decylsulfonyl)-2,3,5,6-tetrachlorobenzonitrile, 2,3,5,6-tetrachloro-4-decylsulfonylbenzonitrile, 2,3,5,6-TETRACHLORO-4-(DECANE-1-SULFONYL)BENZONITRILE, BRN 2605595
| Molecular Formula | C17H21Cl4NO2S |
|---|---|
| Molecular Weight | 443.00 g/mol |
| LogP | 7.08628 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.0047 |
| Heavy Atoms | 25 |
| Complexity | 712.99036 |
Chemical Identifiers
| CAS Number | 56957-81-4 |
|---|---|
| SMILES | CCCCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
Product Overview
Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- (CAS 56957-81-4), with molecular formula C17H21Cl4NO2S and molecular weight 443.00 g/mol. IUPAC: 2,3,5,6-tetrachloro-4-decylsulfonylbenzonitrile.
Chemical Property Profile of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-
Property Insights of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-
The XLogP value of 7.08628 indicates that Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- 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 Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-?
The CAS number of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- is 56957-81-4.
What is the molecular formula of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-?
The molecular formula of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- is C17H21Cl4NO2S.
What is the molecular weight of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-?
The molecular weight of Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- is 443.00 g/mol.
Where can I buy Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-?
You can request a quote for Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.