2,3-二甲基-5-硝基苯磺酰氯
TL;DR: 2,3-二甲基-5-硝基苯磺酰氯 (CAS 68631-04-9) is a chemical compound with molecular formula C8H8ClNO4S and molecular weight 248.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二甲基-5-硝基苯磺酰氯
2,3-dimethyl-5-nitrobenzenesulfonyl chloride
Also Known As: 2,3-Dimethyl-5-nitrobenzenesulfonyl chloride, 2,3-dimethyl-5-nitrobenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-, Benzenesulfonylchloride, 2,3-dimethyl-5-nitro-, 2,3-dimethyl-5-nitrobenzene-1-sulphonylchloride
| Molecular Formula | C8H8ClNO4S |
|---|---|
| Molecular Weight | 248.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.98625 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 68631-04-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)S(=O)(=O)Cl)[N+](=O)[O-] |
| InChIKey | VPPPQFAKKFQYGQ-UHFFFAOYSA-N |
Product Overview
2,3-二甲基-5-硝基苯磺酰氯 (CAS 68631-04-9), with molecular formula C8H8ClNO4S and molecular weight 248.99 g/mol. IUPAC: 2,3-dimethyl-5-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 2,3-二甲基-5-硝基苯磺酰氯
Property Insights of 2,3-二甲基-5-硝基苯磺酰氯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二甲基-5-硝基苯磺酰氯. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-二甲基-5-硝基苯磺酰氯. Following Lipinski's Rule of Five, 2,3-二甲基-5-硝基苯磺酰氯 has 0 hydrogen bond donor(s) and 4 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 2,3-二甲基-5-硝基苯磺酰氯?
The CAS number of 2,3-二甲基-5-硝基苯磺酰氯 is 68631-04-9.
What is the molecular formula of 2,3-二甲基-5-硝基苯磺酰氯?
The molecular formula of 2,3-二甲基-5-硝基苯磺酰氯 is C8H8ClNO4S.
What is the molecular weight of 2,3-二甲基-5-硝基苯磺酰氯?
The molecular weight of 2,3-二甲基-5-硝基苯磺酰氯 is 248.99 g/mol.
Where can I buy 2,3-二甲基-5-硝基苯磺酰氯?
You can request a quote for 2,3-二甲基-5-硝基苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二甲基-5-硝基苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二甲基-5-硝基苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.