Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate
TL;DR: Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate (CAS 68882-89-3) is a chemical compound with molecular formula C15H19NO4S and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate
Also Known As: ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate, Ethyl 4-(diacetylamino)-3-[(methylsulfanyl)methyl]benzoate
| Molecular Formula | C15H19NO4S |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1035 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 68882-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N(C(=O)C)C(=O)C)CSC |
| InChIKey | XCKYLPJGBNDKMQ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate (CAS 68882-89-3), with molecular formula C15H19NO4S and molecular weight 309.10 g/mol. IUPAC: ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate.
Chemical Property Profile of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate
Property Insights of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate 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-(diacetylamino)-3-(methylsulfanylmethyl)benzoate?
The CAS number of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate is 68882-89-3.
What is the molecular formula of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate?
The molecular formula of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate is C15H19NO4S.
What is the molecular weight of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate?
The molecular weight of Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate is 309.10 g/mol.
Where can I buy Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate?
You can request a quote for Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.