RefChem:593821
TL;DR: RefChem:593821 (CAS 560995-30-4) is a chemical compound with molecular formula C18H21ClF3N3O2S and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]imino-4H-1,3,4-thiadiazin-5-yl]acetate
Also Known As: ethyl 2-(3-tert-butyl-2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3,4-thiadiazin-5-yl)acetate, [3-tert-Butyl-2-(2-chloro-5-trifluoromethyl-phenylimino)-3,4-dihydro-2H-[1,3,4]thiadiazin-5-yl]-acetic acid ethyl ester, Ethyl 2-(3-(tert-butyl)-2-((2-chloro-5-(trifluoromethyl)phenyl)imino)-3,4-dihydro-2h-1,3,4-thiadiazin-5-yl)acetate, ethyl 2-[3-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]imino-4H-1,3,4-thiadiazin-5-yl]acetate, 977-526-0
| Molecular Formula | C18H21ClF3N3O2S |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 5.4928 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.09952 |
| Heavy Atoms | 28 |
| Complexity | 804.24603 |
Chemical Identifiers
| CAS Number | 560995-30-4 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=NC2=C(C=CC(=C2)C(F)(F)F)Cl)N(N1)C(C)(C)C |
Product Overview
RefChem:593821 (CAS 560995-30-4), with molecular formula C18H21ClF3N3O2S and molecular weight 435.10 g/mol. IUPAC: ethyl 2-[3-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]imino-4H-1,3,4-thiadiazin-5-yl]acetate.
Chemical Property Profile of RefChem:593821
Property Insights of RefChem:593821
The XLogP value of 5.4928 indicates that RefChem:593821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, RefChem:593821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:593821 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:593821?
The CAS number of RefChem:593821 is 560995-30-4.
What is the molecular formula of RefChem:593821?
The molecular formula of RefChem:593821 is C18H21ClF3N3O2S.
What is the molecular weight of RefChem:593821?
The molecular weight of RefChem:593821 is 435.10 g/mol.
Where can I buy RefChem:593821?
You can request a quote for RefChem:593821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:593821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:593821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.