R-116031
TL;DR: R-116031 (CAS 336884-84-5) is a chemical compound with molecular formula C35H38F6N4O2 and molecular weight 660.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Also Known As: R-116031, R 116031, 2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide, 1-Piperazineacetamide, 4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)-4-piperidinyl]-N-(2,6-dimethylphenyl)-, 2-(4-((2R,4S)-1-(3,5-bis(trifluoromethyl)benzoyl)-2-(phenylmethyl)piperidin-4-yl)piperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
| Molecular Formula | C35H38F6N4O2 |
|---|---|
| Molecular Weight | 660.29 g/mol |
| LogP | 6.81324 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 660.2899 |
| Heavy Atoms | 47 |
| Complexity | 1515.9694 |
Chemical Identifiers
| CAS Number | 336884-84-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)[C@H]3CCN([C@@H](C3)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F |
Product Overview
R-116031 (CAS 336884-84-5), with molecular formula C35H38F6N4O2 and molecular weight 660.29 g/mol. IUPAC: 2-[4-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
Chemical Property Profile of R-116031
Property Insights of R-116031
The XLogP value of 6.81324 indicates that R-116031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.89 Ų, R-116031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R-116031 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of R-116031?
The CAS number of R-116031 is 336884-84-5.
What is the molecular formula of R-116031?
The molecular formula of R-116031 is C35H38F6N4O2.
What is the molecular weight of R-116031?
The molecular weight of R-116031 is 660.29 g/mol.
Where can I buy R-116031?
You can request a quote for R-116031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R-116031?
Yes, KEHONG BIO provides custom synthesis services for R-116031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.