![4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/6162/616214-45-0.webp)
4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
TL;DR: 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 616214-45-0) is a chemical compound with molecular formula C22H23NO3S and molecular weight 381.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-3-oxo-N-(2-phenylsulfanylphenyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide, AF-399/41726194, 4,7,7-trimethyl-3-oxo-N-(2-phenylsulfanylphenyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-2-oxo-N-(2-phenylsulfanylphenyl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide, N-(2-phenylthiophenyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxa mide
| Molecular Formula | C22H23NO3S |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 4.8982 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.13986 |
| Heavy Atoms | 27 |
| Complexity | 910.78375 |
Chemical Identifiers
| CAS Number | 616214-45-0 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)C |
Product Overview
4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 616214-45-0), with molecular formula C22H23NO3S and molecular weight 381.14 g/mol. IUPAC: 4,7,7-trimethyl-3-oxo-N-(2-phenylsulfanylphenyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Property Insights of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 4.8982 indicates that 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-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, 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-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 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 616214-45-0.
What is the molecular formula of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is C22H23NO3S.
What is the molecular weight of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 381.14 g/mol.
Where can I buy 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-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 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,7,7-trimethyl-3-oxo-N-[2-(phenylsulfanyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.