4-丁磺酰基-2,3,5,6-四氯苯甲腈
TL;DR: 4-丁磺酰基-2,3,5,6-四氯苯甲腈 (CAS 56957-82-5) is a chemical compound with molecular formula C11H9Cl4NO2S and molecular weight 358.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-丁磺酰基-2,3,5,6-四氯苯甲腈
4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
Also Known As: 4-Butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile, BENZONITRILE, 4-BUTYLSULFONYL-2,3,5,6-TETRACHLORO-, 4-(BUTANE-1-SULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE, Benzonitrile, 4-(butylsulfonyl)-2,3,5,6-tetrachloro-, BENZONITRILE,4-BUTYLSULFONYL-2,3,5,6-TETRACHLORO
| Molecular Formula | C11H9Cl4NO2S |
|---|---|
| Molecular Weight | 358.91 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.90787 |
| Heavy Atoms | 19 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 56957-82-5 |
|---|---|
| SMILES | CCCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
| InChIKey | RDFRYOMUNDFBHZ-UHFFFAOYSA-N |
Product Overview
4-丁磺酰基-2,3,5,6-四氯苯甲腈 (CAS 56957-82-5), with molecular formula C11H9Cl4NO2S and molecular weight 358.91 g/mol. IUPAC: 4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile.
Chemical Property Profile of 4-丁磺酰基-2,3,5,6-四氯苯甲腈
Property Insights of 4-丁磺酰基-2,3,5,6-四氯苯甲腈
The XLogP value of 4.6 indicates that 4-丁磺酰基-2,3,5,6-四氯苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-丁磺酰基-2,3,5,6-四氯苯甲腈. Following Lipinski's Rule of Five, 4-丁磺酰基-2,3,5,6-四氯苯甲腈 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 4-丁磺酰基-2,3,5,6-四氯苯甲腈?
The CAS number of 4-丁磺酰基-2,3,5,6-四氯苯甲腈 is 56957-82-5.
What is the molecular formula of 4-丁磺酰基-2,3,5,6-四氯苯甲腈?
The molecular formula of 4-丁磺酰基-2,3,5,6-四氯苯甲腈 is C11H9Cl4NO2S.
What is the molecular weight of 4-丁磺酰基-2,3,5,6-四氯苯甲腈?
The molecular weight of 4-丁磺酰基-2,3,5,6-四氯苯甲腈 is 358.91 g/mol.
Where can I buy 4-丁磺酰基-2,3,5,6-四氯苯甲腈?
You can request a quote for 4-丁磺酰基-2,3,5,6-四氯苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-丁磺酰基-2,3,5,6-四氯苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-丁磺酰基-2,3,5,6-四氯苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.