1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
TL;DR: 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CAS 371958-33-7) is a chemical compound with molecular formula C20H15ClF7N3O2S and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea, 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea
| Molecular Formula | C20H15ClF7N3O2S |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 6.3863 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.04614 |
| Heavy Atoms | 34 |
| Complexity | 1066.0721 |
Chemical Identifiers
| CAS Number | 371958-33-7 |
|---|---|
| SMILES | CC1CN=C(S1)N(C2=CC(=C(C=C2)F)Cl)C(=O)NC(C(F)(F)F)(C(F)(F)F)OC3=CC=CC=C3 |
Product Overview
1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CAS 371958-33-7), with molecular formula C20H15ClF7N3O2S and molecular weight 529.05 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.
Chemical Property Profile of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
Property Insights of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
The XLogP value of 6.3863 indicates that 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The CAS number of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is 371958-33-7.
What is the molecular formula of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The molecular formula of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is C20H15ClF7N3O2S.
What is the molecular weight of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The molecular weight of 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is 529.05 g/mol.
Where can I buy 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
You can request a quote for 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.