![methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate structure](/static/products/385/385388-98-7.png)
methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
TL;DR: methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate (CAS 385388-98-7) is a chemical compound with molecular formula C27H24FN3O4S and molecular weight 505.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-fluorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate, Methyl 4-[[2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoate, (Z)-methyl 4-(2-((4-fluorophenyl)imino)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamido)benzoate, METHYL 4-[(2Z)-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-3-(2-PHENYLETHYL)-1,3-THIAZINANE-6-AMIDO]BENZOATE
| Molecular Formula | C27H24FN3O4S |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 4.8153 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.14716 |
| Heavy Atoms | 36 |
| Complexity | 1264.4409 |
Chemical Identifiers
| CAS Number | 385388-98-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)F)S2)CCC4=CC=CC=C4 |
Product Overview
methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate (CAS 385388-98-7), with molecular formula C27H24FN3O4S and molecular weight 505.15 g/mol. IUPAC: methyl 4-[[2-(4-fluorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
Property Insights of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
The XLogP value of 4.8153 indicates that methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}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 methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate?
The CAS number of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate is 385388-98-7.
What is the molecular formula of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate?
The molecular formula of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate is C27H24FN3O4S.
What is the molecular weight of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate?
The molecular weight of methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate is 505.15 g/mol.
Where can I buy methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate?
You can request a quote for methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.