M55113
TL;DR: M55113 (CAS 229646-37-1) is a chemical compound with molecular formula C25H29ClN4O2S and molecular weight 484.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloronaphthalen-2-yl)sulfonyl-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine
Also Known As: J1.571.152C, 1-(6-chloronaphthalen-2-yl)sulfonyl-4-[(1-pyridin-4-yl-4-piperidyl)methyl]piperazine, 1-[(6-chloronaphthalen-2-yl)sulfonyl]-4-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}piperazine, 6-Chloro-2-naphthyl 4-[1-(4-pyridyl)-4-piperidinylmethyl]piperazino sulfone, RefChem:154905
| Molecular Formula | C25H29ClN4O2S |
|---|---|
| Molecular Weight | 484.17 g/mol |
| LogP | 4.1111 |
| Topological Polar Surface Area | 56.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.16998 |
| Heavy Atoms | 33 |
| Complexity | 1205.5638 |
Chemical Identifiers
| CAS Number | 229646-37-1 |
|---|---|
| SMILES | C1CN(CCC1CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5 |
Product Overview
M55113 (CAS 229646-37-1), with molecular formula C25H29ClN4O2S and molecular weight 484.17 g/mol. IUPAC: 1-(6-chloronaphthalen-2-yl)sulfonyl-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine.
Chemical Property Profile of M55113
Property Insights of M55113
The XLogP value of 4.1111 indicates that M55113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.75 Ų, M55113 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M55113 has 0 hydrogen bond donor(s) and 5 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 M55113?
The CAS number of M55113 is 229646-37-1.
What is the molecular formula of M55113?
The molecular formula of M55113 is C25H29ClN4O2S.
What is the molecular weight of M55113?
The molecular weight of M55113 is 484.17 g/mol.
Where can I buy M55113?
You can request a quote for M55113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M55113?
Yes, KEHONG BIO provides custom synthesis services for M55113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.