3H-425S
TL;DR: 3H-425S (CAS 338409-51-1) is a chemical compound with molecular formula C18H12ClF3N2O2S and molecular weight 412.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl] N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 3H-425S, 2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl N-[3-(trifluoromethyl)phenyl]carbamate, [2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl] N-[3-(trifluoromethyl)phenyl]carbamate, 2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-ylN-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C18H12ClF3N2O2S |
|---|---|
| Molecular Weight | 412.03 g/mol |
| LogP | 6.40162 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.026 |
| Heavy Atoms | 27 |
| Complexity | 971.4832 |
Chemical Identifiers
| CAS Number | 338409-51-1 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CC=C(C=C2)Cl)OC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3H-425S (CAS 338409-51-1), with molecular formula C18H12ClF3N2O2S and molecular weight 412.03 g/mol. IUPAC: [2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl] N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 3H-425S
Property Insights of 3H-425S
The XLogP value of 6.40162 indicates that 3H-425S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 3H-425S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-425S 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 3H-425S?
The CAS number of 3H-425S is 338409-51-1.
What is the molecular formula of 3H-425S?
The molecular formula of 3H-425S is C18H12ClF3N2O2S.
What is the molecular weight of 3H-425S?
The molecular weight of 3H-425S is 412.03 g/mol.
Where can I buy 3H-425S?
You can request a quote for 3H-425S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-425S?
Yes, KEHONG BIO provides custom synthesis services for 3H-425S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.