(Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate
TL;DR: (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate (CAS 470448-54-5) is a chemical compound with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-(methylcarbamoyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate, Ethyl 4-[[6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene]amino]benzoate, ethyl 4-{[(2Z)-6-(methylcarbamoyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino}benzoate, 4-[6-Methylcarbamoyl-4-oxo-3-phenethyl-[1,3]thiazinan-(2Z)-ylideneamino]-benzoic acid ethyl ester
| Molecular Formula | C23H25N3O4S |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 3.1736 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1566 |
| Heavy Atoms | 31 |
| Complexity | 960.5467 |
Chemical Identifiers
| CAS Number | 470448-54-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC)CCC3=CC=CC=C3 |
Product Overview
(Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate (CAS 470448-54-5), with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol. IUPAC: ethyl 4-[[6-(methylcarbamoyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate
Property Insights of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate
The XLogP value of 3.1736 indicates that (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-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
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate?
The CAS number of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate is 470448-54-5.
What is the molecular formula of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate?
The molecular formula of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate is C23H25N3O4S.
What is the molecular weight of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate?
The molecular weight of (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate is 439.16 g/mol.
Where can I buy (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate?
You can request a quote for (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-((6-(methylcarbamoyl)-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.