![N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide structure](/static/products/6464/646497-38-3.webp)
N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
TL;DR: N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide (CAS 646497-38-3) is a chemical compound with molecular formula C21H14F6NOPS and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-1-diphenylphosphorylmethanethioamide
Also Known As: N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide, N-(3,5-Bis(trifluoromethyl)phenyl)-1-(diphenylphosphoryl)methanethioamide, N-[3,5-bis(trifluoromethyl)phenyl]-1-diphenylphosphorylmethanethioamide, N-[3,5-bis(trifluoromethyl)phenyl]-1-(diphenylphosphoroso)methanethioamide, N-[3,5-bis(trifluoromethyl)phenyl]-1-diphenylphosphoryl-methanethioamide
| Molecular Formula | C21H14F6NOPS |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 6.4351 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.0438 |
| Heavy Atoms | 31 |
| Complexity | 1054.352 |
Chemical Identifiers
| CAS Number | 646497-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide (CAS 646497-38-3), with molecular formula C21H14F6NOPS and molecular weight 473.04 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-1-diphenylphosphorylmethanethioamide.
Chemical Property Profile of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
Property Insights of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
The XLogP value of 6.4351 indicates that N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The CAS number of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is 646497-38-3.
What is the molecular formula of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The molecular formula of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is C21H14F6NOPS.
What is the molecular weight of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The molecular weight of N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is 473.04 g/mol.
Where can I buy N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
You can request a quote for N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-di(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.