![N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/6162/616214-65-4.webp)
N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
TL;DR: N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 616214-65-4) is a chemical compound with molecular formula C17H19F2NO3S and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, (1S,4S)-N-(4-((difluoromethyl)thio)phenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, N-[4-(difluoromethylsulfanyl)phenyl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide, N-[4-(difluoromethylthio)phenyl](4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept yl)carboxamide
| Molecular Formula | C17H19F2NO3S |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 4.0617 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.10538 |
| Heavy Atoms | 24 |
| Complexity | 691.581 |
Chemical Identifiers
| CAS Number | 616214-65-4 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=C(C=C3)SC(F)F)C)C |
Product Overview
N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 616214-65-4), with molecular formula C17H19F2NO3S and molecular weight 355.11 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Property Insights of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 4.0617 indicates that N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 616214-65-4.
What is the molecular formula of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is C17H19F2NO3S.
What is the molecular weight of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 355.11 g/mol.
Where can I buy N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(difluoromethyl)sulfanyl]phenyl}-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.