3,4-二氯苯磺酰氯
TL;DR: 3,4-二氯苯磺酰氯 (CAS 98-31-7) is a chemical compound with molecular formula C6H3Cl3O2S and molecular weight 243.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯苯磺酰氯
3,4-dichlorobenzenesulfonyl chloride
Also Known As: 3,4-DICHLOROBENZENESULFONYL CHLORIDE, 3,4-Dichlorobenzene-1-Sulfonyl Chloride, Benzenesulfonyl chloride, 3,4-dichloro-, 3,4-Dichlorophenylsulfonyl chloride, 3,4-Dichlorobenzenesulphonyl chloride
| Molecular Formula | C6H3Cl3O2S |
|---|---|
| Molecular Weight | 243.89 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.89194 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 98-31-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Cl |
| InChIKey | NYIBPWGZGSXURD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯苯磺酰氯 (CAS 98-31-7), with molecular formula C6H3Cl3O2S and molecular weight 243.89 g/mol. IUPAC: 3,4-dichlorobenzenesulfonyl chloride.
Chemical Property Profile of 3,4-二氯苯磺酰氯
Property Insights of 3,4-二氯苯磺酰氯
The XLogP value of 3.4 indicates that 3,4-二氯苯磺酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 3,4-二氯苯磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯苯磺酰氯 has 0 hydrogen bond donor(s) and 2 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 3,4-二氯苯磺酰氯?
The CAS number of 3,4-二氯苯磺酰氯 is 98-31-7.
What is the molecular formula of 3,4-二氯苯磺酰氯?
The molecular formula of 3,4-二氯苯磺酰氯 is C6H3Cl3O2S.
What is the molecular weight of 3,4-二氯苯磺酰氯?
The molecular weight of 3,4-二氯苯磺酰氯 is 243.89 g/mol.
Where can I buy 3,4-二氯苯磺酰氯?
You can request a quote for 3,4-二氯苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.