![[(3,4-二氯苯基)磺酰基]乙腈 structure](/static/products/985/98557-04-1.png)
[(3,4-二氯苯基)磺酰基]乙腈
TL;DR: [(3,4-二氯苯基)磺酰基]乙腈 (CAS 98557-04-1) is a chemical compound with molecular formula C8H5Cl2NO2S and molecular weight 248.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,4-二氯苯基)磺酰基]乙腈
2-(3,4-dichlorophenyl)sulfonylacetonitrile
Also Known As: Maybridge1_004538, 2-((3,4-dichlorophenyl)sulfonyl)acetonitrile, [(3,4-Dichlorophenyl)sulfonyl]acetonitrile, 2-(3,4-dichlorophenyl)sulfonylacetonitrile, 2-(3,4-dichlorophenyl)sulonylacetonitrile
| Molecular Formula | C8H5Cl2NO2S |
|---|---|
| Molecular Weight | 248.94 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.9418 |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 98557-04-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)CC#N)Cl)Cl |
| InChIKey | VWMUOSSNHJVPKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(3,4-二氯苯基)磺酰基]乙腈 (CAS 98557-04-1), with molecular formula C8H5Cl2NO2S and molecular weight 248.94 g/mol. IUPAC: 2-(3,4-dichlorophenyl)sulfonylacetonitrile.
Chemical Property Profile of [(3,4-二氯苯基)磺酰基]乙腈
Property Insights of [(3,4-二氯苯基)磺酰基]乙腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3,4-二氯苯基)磺酰基]乙腈. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3,4-二氯苯基)磺酰基]乙腈. Following Lipinski's Rule of Five, [(3,4-二氯苯基)磺酰基]乙腈 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 [(3,4-二氯苯基)磺酰基]乙腈?
The CAS number of [(3,4-二氯苯基)磺酰基]乙腈 is 98557-04-1.
What is the molecular formula of [(3,4-二氯苯基)磺酰基]乙腈?
The molecular formula of [(3,4-二氯苯基)磺酰基]乙腈 is C8H5Cl2NO2S.
What is the molecular weight of [(3,4-二氯苯基)磺酰基]乙腈?
The molecular weight of [(3,4-二氯苯基)磺酰基]乙腈 is 248.94 g/mol.
Where can I buy [(3,4-二氯苯基)磺酰基]乙腈?
You can request a quote for [(3,4-二氯苯基)磺酰基]乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3,4-二氯苯基)磺酰基]乙腈?
Yes, KEHONG BIO provides custom synthesis services for [(3,4-二氯苯基)磺酰基]乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.