Opera_ID_346
TL;DR: Opera_ID_346 (CAS 586992-79-2) is a chemical compound with molecular formula C18H21F2NOS and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
Also Known As: N-{4-[(difluoromethyl)sulfanyl]phenyl}-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxamide, N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide, N-[4-(difluoromethylthio)phenyl](3,3-dimethyl-2-methylenebicyclo[2.2.1]heptyl) carboxamide, (1S,4R)-N-(4-((difluoromethyl)thio)phenyl)-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxamide, N-[4-(difluoromethylsulfanyl)phenyl]-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C18H21F2NOS |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 5.3223 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1312 |
| Heavy Atoms | 23 |
| Complexity | 640.9266 |
Chemical Identifiers
| CAS Number | 586992-79-2 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C1=C)C(=O)NC3=CC=C(C=C3)SC(F)F)C |
Product Overview
Opera_ID_346 (CAS 586992-79-2), with molecular formula C18H21F2NOS and molecular weight 337.13 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of Opera_ID_346
Property Insights of Opera_ID_346
The XLogP value of 5.3223 indicates that Opera_ID_346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Opera_ID_346 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Opera_ID_346 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 Opera_ID_346?
The CAS number of Opera_ID_346 is 586992-79-2.
What is the molecular formula of Opera_ID_346?
The molecular formula of Opera_ID_346 is C18H21F2NOS.
What is the molecular weight of Opera_ID_346?
The molecular weight of Opera_ID_346 is 337.13 g/mol.
Where can I buy Opera_ID_346?
You can request a quote for Opera_ID_346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_346?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.