4,5-dichloro-2-methylsulfonyl-1H-imidazole
TL;DR: 4,5-dichloro-2-methylsulfonyl-1H-imidazole (CAS 27099-12-3) is a chemical compound with molecular formula C4H4Cl2N2O2S and molecular weight 213.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-methylsulfonyl-1H-imidazole
Also Known As: 4,5-dichloro-2-methylsulfonyl-1H-imidazole, 4,5-Dichloro-2-(methanesulfonyl)-1H-imidazole
| Molecular Formula | C4H4Cl2N2O2S |
|---|---|
| Molecular Weight | 213.94 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.93706 |
| Heavy Atoms | 11 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 27099-12-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC(=C(N1)Cl)Cl |
| InChIKey | AEYNRQGAZBCPRO-UHFFFAOYSA-N |
Product Overview
4,5-dichloro-2-methylsulfonyl-1H-imidazole (CAS 27099-12-3), with molecular formula C4H4Cl2N2O2S and molecular weight 213.94 g/mol. IUPAC: 4,5-dichloro-2-methylsulfonyl-1H-imidazole.
Chemical Property Profile of 4,5-dichloro-2-methylsulfonyl-1H-imidazole
Property Insights of 4,5-dichloro-2-methylsulfonyl-1H-imidazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dichloro-2-methylsulfonyl-1H-imidazole. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dichloro-2-methylsulfonyl-1H-imidazole. Following Lipinski's Rule of Five, 4,5-dichloro-2-methylsulfonyl-1H-imidazole has 1 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 4,5-dichloro-2-methylsulfonyl-1H-imidazole?
The CAS number of 4,5-dichloro-2-methylsulfonyl-1H-imidazole is 27099-12-3.
What is the molecular formula of 4,5-dichloro-2-methylsulfonyl-1H-imidazole?
The molecular formula of 4,5-dichloro-2-methylsulfonyl-1H-imidazole is C4H4Cl2N2O2S.
What is the molecular weight of 4,5-dichloro-2-methylsulfonyl-1H-imidazole?
The molecular weight of 4,5-dichloro-2-methylsulfonyl-1H-imidazole is 213.94 g/mol.
Where can I buy 4,5-dichloro-2-methylsulfonyl-1H-imidazole?
You can request a quote for 4,5-dichloro-2-methylsulfonyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dichloro-2-methylsulfonyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dichloro-2-methylsulfonyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.