(Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate
TL;DR: (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate (CAS 1164508-25-1) is a chemical compound with molecular formula C18H21N3O4S and molecular weight 375.12527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[6-(methylcarbamoyl)-4-oxo-3-prop-2-enyl-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-[[6-(methylcarbamoyl)-4-oxo-3-prop-2-enyl-1,3-thiazinan-2-ylidene]amino]benzoate, ETHYL 4-({3-ALLYL-6-[(METHYLAMINO)CARBONYL]-4-OXO-1,3-THIAZINAN-2-YLIDEN}AMINO)BENZOATE, ethyl 4-{[(2Z)-6-(methylcarbamoyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinan-2-ylidene]amino}benzoate
Technical Specifications
| Molecular Formula | C18H21N3O4S |
| Molecular Weight | 375.12527 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.12527 Da |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC)CC=C |
| InChIKey | ZBOKXKGYZDWCEJ-UHFFFAOYSA-N |
Chemical Property Profile of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate
Property Insights of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate?
The CAS number of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate is 1164508-25-1.
What is the molecular formula of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate?
The molecular formula of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate is C18H21N3O4S.
What is the molecular weight of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate?
The molecular weight of (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate is 375.12527 g/mol.
Where can I buy (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate?
You can request a quote for (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate?
Yes, CoreyChem provides custom synthesis services for (Z)-ethyl 4-((3-allyl-6-(methylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.