ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 368869-88-9) is a chemical compound with molecular formula C9H12ClNO4S and molecular weight 265.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chlorosulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, Ethyl 4-chlorosulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, Ethyl 4-(chlorosulphonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, 2,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrole-3-sulphonyl chloride, ethyl 4-(chlorosulfonyl)-3,5-dimethylpyrrole-2-carboxylate
| Molecular Formula | C9H12ClNO4S |
|---|---|
| Molecular Weight | 265.02 g/mol |
| LogP | 1.73574 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.01755 |
| Heavy Atoms | 16 |
| Complexity | 517.85645 |
Chemical Identifiers
| CAS Number | 368869-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)Cl)C |
Product Overview
ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 368869-88-9), with molecular formula C9H12ClNO4S and molecular weight 265.02 g/mol. IUPAC: ethyl 4-chlorosulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.73574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 1 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 ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 368869-88-9.
What is the molecular formula of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C9H12ClNO4S.
What is the molecular weight of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 265.02 g/mol.
Where can I buy ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.