J1.872.553C
TL;DR: J1.872.553C (CAS 306296-62-8) is a chemical compound with molecular formula C27H36F3N5O and molecular weight 503.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
Also Known As: J1.872.553C, 4-[(3S)-4-[(S)-4-(Trifluoromethyl)-alpha-methylbenzyl]-3-methyl-piperazino]-4-methylpiperidino 4,6-dimethyl-5-pyrimidinyl ketone, (4,6-Dimethyl-5-pyrimidinyl)[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]methanone, (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone, (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone
| Molecular Formula | C27H36F3N5O |
|---|---|
| Molecular Weight | 503.29 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.2872 |
| Heavy Atoms | 36 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 306296-62-8 |
|---|---|
| SMILES | C[C@H]1CN(CCN1[C@@H](C)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C |
| InChIKey | HMBFXHIQISYDKM-RXVVDRJESA-N |
Product Overview
J1.872.553C (CAS 306296-62-8), with molecular formula C27H36F3N5O and molecular weight 503.29 g/mol. IUPAC: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone.
Chemical Property Profile of J1.872.553C
Property Insights of J1.872.553C
The XLogP value of 4.3 indicates that J1.872.553C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, J1.872.553C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.872.553C has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.872.553C?
The CAS number of J1.872.553C is 306296-62-8.
What is the molecular formula of J1.872.553C?
The molecular formula of J1.872.553C is C27H36F3N5O.
What is the molecular weight of J1.872.553C?
The molecular weight of J1.872.553C is 503.29 g/mol.
Where can I buy J1.872.553C?
You can request a quote for J1.872.553C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.872.553C?
Yes, KEHONG BIO provides custom synthesis services for J1.872.553C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.