M-55551
TL;DR: M-55551 (CAS 229646-76-8) is a chemical compound with molecular formula C26H27ClN4O5S and molecular weight 542.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid
Also Known As: (-)-M-55551, J1.788.760B, (2R)-4-((6-Chloro-2-naphthalenyl)sulfonyl)-6-oxo-1-((1-(4-pyridinyl)-4-piperidinyl)methyl)-2-piperazinecarboxylic acid, 2-Piperazinecarboxylic acid, 4-((6-chloro-2-naphthalenyl)sulfonyl)-6-oxo-1-((1-(4-pyridinyl)-4-piperidinyl)methyl)-, (2R)-, (2R)-1-[1-(4-Pyridyl)-4-piperidinylmethyl]-4-(6-chloro-2-naphthylsulfonyl)-6-oxo-2beta-piperazinecarboxylic acid
| Molecular Formula | C26H27ClN4O5S |
|---|---|
| Molecular Weight | 542.14 g/mol |
| LogP | 3.0909 |
| Topological Polar Surface Area | 111.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1391 |
| Heavy Atoms | 37 |
| Complexity | 1427.4125 |
Chemical Identifiers
| CAS Number | 229646-76-8 |
|---|---|
| SMILES | C1CN(CCC1CN2[C@H](CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5 |
Product Overview
M-55551 (CAS 229646-76-8), with molecular formula C26H27ClN4O5S and molecular weight 542.14 g/mol. IUPAC: (2R)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid.
Chemical Property Profile of M-55551
Property Insights of M-55551
The XLogP value of 3.0909 indicates that M-55551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.12 Ų falls within the moderate polarity range, balancing permeability and solubility for M-55551. Following Lipinski's Rule of Five, M-55551 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of M-55551?
The CAS number of M-55551 is 229646-76-8.
What is the molecular formula of M-55551?
The molecular formula of M-55551 is C26H27ClN4O5S.
What is the molecular weight of M-55551?
The molecular weight of M-55551 is 542.14 g/mol.
Where can I buy M-55551?
You can request a quote for M-55551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M-55551?
Yes, KEHONG BIO provides custom synthesis services for M-55551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.