(Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
TL;DR: (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid (CAS 384795-57-7) is a chemical compound with molecular formula C21H18ClF2N3O5S and molecular weight 497.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({[(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-ethyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, 4-[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C21H18ClF2N3O5S |
|---|---|
| Molecular Weight | 497.06 g/mol |
| LogP | 4.5329 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.06238 |
| Heavy Atoms | 33 |
| Complexity | 1074.8029 |
Chemical Identifiers
| CAS Number | 384795-57-7 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC(F)(F)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
(Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid (CAS 384795-57-7), with molecular formula C21H18ClF2N3O5S and molecular weight 497.06 g/mol. IUPAC: 4-[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
Property Insights of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
The XLogP value of 4.5329 indicates that (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid has 2 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)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
The CAS number of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is 384795-57-7.
What is the molecular formula of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
The molecular formula of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is C21H18ClF2N3O5S.
What is the molecular weight of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
The molecular weight of (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is 497.06 g/mol.
Where can I buy (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
You can request a quote for (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(2-((4-(chlorodifluoromethoxy)phenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.