(Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
TL;DR: (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate (CAS 522649-89-4) is a chemical compound with molecular formula C29H28FN3O5S and molecular weight 549.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(2-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, ethyl 4-[({(2Z)-2-[(2-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, ETHYL 4-[(2Z)-2-[(2-FLUOROPHENYL)IMINO]-3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE, ethyl 4-[[2-(2-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C29H28FN3O5S |
|---|---|
| Molecular Weight | 549.17 g/mol |
| LogP | 5.214 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.17334 |
| Heavy Atoms | 39 |
| Complexity | 1362.0958 |
Chemical Identifiers
| CAS Number | 522649-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CCC4=CC=C(C=C4)OC |
Product Overview
(Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate (CAS 522649-89-4), with molecular formula C29H28FN3O5S and molecular weight 549.17 g/mol. IUPAC: ethyl 4-[[2-(2-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
Property Insights of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
The XLogP value of 5.214 indicates that (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The CAS number of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is 522649-89-4.
What is the molecular formula of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The molecular formula of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is C29H28FN3O5S.
What is the molecular weight of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The molecular weight of (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is 549.17 g/mol.
Where can I buy (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
You can request a quote for (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)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-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(2-((2-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.