N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide
TL;DR: N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide (CAS 845668-50-0) is a chemical compound with molecular formula C21H20F6N2O3S and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,1,1,3,3,3-hexafluoro-2-[2-(furan-2-ylmethylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]propan-2-yl]thiophene-2-carboxamide
Also Known As: N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide, N-(1,1,1,3,3,3-hexafluoro-2-{2-[(furan-2-ylmethyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}propan-2-yl)thiophene-2-carboxamide, N-[1,1,1,3,3,3-hexafluoro-2-[2-(furan-2-ylmethylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]propan-2-yl]thiophene-2-carboxamide
| Molecular Formula | C21H20F6N2O3S |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 5.3673 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.1099 |
| Heavy Atoms | 33 |
| Complexity | 1023.24335 |
Chemical Identifiers
| CAS Number | 845668-50-0 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CS2)NCC3=CC=CO3)C |
Product Overview
N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide (CAS 845668-50-0), with molecular formula C21H20F6N2O3S and molecular weight 494.11 g/mol. IUPAC: N-[1,1,1,3,3,3-hexafluoro-2-[2-(furan-2-ylmethylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]propan-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide
Property Insights of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide
The XLogP value of 5.3673 indicates that N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide has 2 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 N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide?
The CAS number of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide is 845668-50-0.
What is the molecular formula of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide?
The molecular formula of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide is C21H20F6N2O3S.
What is the molecular weight of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide?
The molecular weight of N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide is 494.11 g/mol.
Where can I buy N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide?
You can request a quote for N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1,1,3,3,3-hexafluoro-2-(2-((furan-2-ylmethyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propan-2-yl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.