Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate
TL;DR: Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate (CAS 306936-34-5) is a chemical compound with molecular formula C9H11ClO5S and molecular weight 266.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chlorosulfonyl-2,5-dimethylfuran-3-carboxylate
Also Known As: Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate, ethyl 4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylate, 9704AD, Ethyl4-(chlorosulphonyl)-2,5-dimethyl-3-furoate, ethyl 4-(chlorosulfonyl)-2,5-dimethyl-3-furoate
| Molecular Formula | C9H11ClO5S |
|---|---|
| Molecular Weight | 266.00 g/mol |
| LogP | 2.00064 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0016 |
| Heavy Atoms | 16 |
| Complexity | 514.2468 |
Chemical Identifiers
| CAS Number | 306936-34-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1S(=O)(=O)Cl)C)C |
Product Overview
Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate (CAS 306936-34-5), with molecular formula C9H11ClO5S and molecular weight 266.00 g/mol. IUPAC: ethyl 4-chlorosulfonyl-2,5-dimethylfuran-3-carboxylate.
Chemical Property Profile of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate
Property Insights of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate
The XLogP value of 2.00064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate. Following Lipinski's Rule of Five, Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate has 0 hydrogen bond donor(s) and 5 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-(chlorosulphonyl)-2,5-dimethyl-3-furoate?
The CAS number of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate is 306936-34-5.
What is the molecular formula of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate?
The molecular formula of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate is C9H11ClO5S.
What is the molecular weight of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate?
The molecular weight of Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate is 266.00 g/mol.
Where can I buy Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate?
You can request a quote for Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(chlorosulphonyl)-2,5-dimethyl-3-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.