ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
TL;DR: ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate (CAS 66870-57-3) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
Also Known As: ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate, Ethyl [(2Z)-3-benzoyl-2-(benzoylimino)-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl]acetate, ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)a, ethyl 2-[(2Z)-3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl]acetate, 2H-1,3,4-THIADIAZINE-5-ACETICACID, 3-BENZOYL-2-(BENZOYLIMINO)-3,6-DIHYDRO-, ETHYL ESTER
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 66870-57-3 |
|---|---|
| SMILES | CCOC(=O)CC1=NN(C(=NC(=O)C2=CC=CC=C2)SC1)C(=O)C3=CC=CC=C3 |
| InChIKey | LJXHNXNUFCFFFX-UHFFFAOYSA-N |
Product Overview
ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate (CAS 66870-57-3), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate.
Chemical Property Profile of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
Property Insights of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
The XLogP value of 4.1 indicates that ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate has 0 hydrogen bond donor(s) and 6 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 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate?
The CAS number of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate is 66870-57-3.
What is the molecular formula of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate?
The molecular formula of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate is C21H19N3O4S.
What is the molecular weight of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate?
The molecular weight of ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate is 409.11 g/mol.
Where can I buy ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate?
You can request a quote for ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.