JX401
TL;DR: JX401 (CAS 331835-30-4) is a chemical compound with molecular formula C21H25NO2S and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
Also Known As: Tox21_500542, SDCCGSBI-0207175.P002, p38 MAP Kinase Inhibitor VI, JX401, (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, 1-[2-Methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)piperidine
| Molecular Formula | C21H25NO2S |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 4.512 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.1606 |
| Heavy Atoms | 25 |
| Complexity | 709.09094 |
Chemical Identifiers
| CAS Number | 331835-30-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)CC3=CC=CC=C3 |
Product Overview
JX401 (CAS 331835-30-4), with molecular formula C21H25NO2S and molecular weight 355.16 g/mol. IUPAC: (4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone.
Chemical Property Profile of JX401
Property Insights of JX401
The XLogP value of 4.512 indicates that JX401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, JX401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JX401 has 0 hydrogen bond donor(s) and 3 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 JX401?
The CAS number of JX401 is 331835-30-4.
What is the molecular formula of JX401?
The molecular formula of JX401 is C21H25NO2S.
What is the molecular weight of JX401?
The molecular weight of JX401 is 355.16 g/mol.
Where can I buy JX401?
You can request a quote for JX401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JX401?
Yes, KEHONG BIO provides custom synthesis services for JX401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.