4-己磺酰基-2,3,5,6-四氯苯甲腈
TL;DR: 4-己磺酰基-2,3,5,6-四氯苯甲腈 (CAS 56916-68-8) is a chemical compound with molecular formula C13H13Cl4NO2S and molecular weight 386.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-己磺酰基-2,3,5,6-四氯苯甲腈
2,3,5,6-tetrachloro-4-hexylsulfonylbenzonitrile
Also Known As: 4-Hexylsulfonyl-2,3,5,6-tetrachlorobenzonitrile, BENZONITRILE, 4-HEXYLSULFONYL-2,3,5,6-TETRACHLORO-, 2,3,5,6-tetrachloro-4-hexylsulfonylbenzonitrile, 2,3,5,6-TETRACHLORO-4-(HEXANE-1-SULFONYL)BENZONITRILE, Benzonitrile, 2,3,5,6-tetrachloro-4-(hexylsulfonyl)-
| Molecular Formula | C13H13Cl4NO2S |
|---|---|
| Molecular Weight | 386.94 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.93915 |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 56916-68-8 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
| InChIKey | RRYNAQHVYUEIAX-UHFFFAOYSA-N |
Product Overview
4-己磺酰基-2,3,5,6-四氯苯甲腈 (CAS 56916-68-8), with molecular formula C13H13Cl4NO2S and molecular weight 386.94 g/mol. IUPAC: 2,3,5,6-tetrachloro-4-hexylsulfonylbenzonitrile.
Chemical Property Profile of 4-己磺酰基-2,3,5,6-四氯苯甲腈
Property Insights of 4-己磺酰基-2,3,5,6-四氯苯甲腈
The XLogP value of 5.7 indicates that 4-己磺酰基-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-己磺酰基-2,3,5,6-四氯苯甲腈. Following Lipinski's Rule of Five, 4-己磺酰基-2,3,5,6-四氯苯甲腈 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 4-己磺酰基-2,3,5,6-四氯苯甲腈?
The CAS number of 4-己磺酰基-2,3,5,6-四氯苯甲腈 is 56916-68-8.
What is the molecular formula of 4-己磺酰基-2,3,5,6-四氯苯甲腈?
The molecular formula of 4-己磺酰基-2,3,5,6-四氯苯甲腈 is C13H13Cl4NO2S.
What is the molecular weight of 4-己磺酰基-2,3,5,6-四氯苯甲腈?
The molecular weight of 4-己磺酰基-2,3,5,6-四氯苯甲腈 is 386.94 g/mol.
Where can I buy 4-己磺酰基-2,3,5,6-四氯苯甲腈?
You can request a quote for 4-己磺酰基-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-己磺酰基-2,3,5,6-四氯苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-己磺酰基-2,3,5,6-四氯苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.