RefChem:390789
TL;DR: RefChem:390789 (CAS 25858-24-6) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
Also Known As: EC 607-821-9, 4-Piperidinecarbonitrile, 3-methyl-1-((4-methylphenyl)sulfonyl)-4-phenyl-, (3R,4S)-rel-, (+-)-trans-3-Methyl-1-((4-methylphenyl)sulfonyl)-4-phenylpiperidine-4-carbonitrile, (+-)-TRANS-3-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PHENYLPIPERIDINE-4-CARBONITRILE, (3R,4S)-3-Methyl-1-(4-methylbenzene-1-sulfonyl)-4-phenylpiperidine-4-carbonitrile
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 25858-24-6 |
|---|---|
| SMILES | C[C@H]1CN(CC[C@@]1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | XFZXKHZEHPBOOY-PXNSSMCTSA-N |
Product Overview
RefChem:390789 (CAS 25858-24-6), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile.
Chemical Property Profile of RefChem:390789
Property Insights of RefChem:390789
The XLogP value of 3.6 indicates that RefChem:390789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:390789. Following Lipinski's Rule of Five, RefChem:390789 has 0 hydrogen bond donor(s) and 4 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 RefChem:390789?
The CAS number of RefChem:390789 is 25858-24-6.
What is the molecular formula of RefChem:390789?
The molecular formula of RefChem:390789 is C20H22N2O2S.
What is the molecular weight of RefChem:390789?
The molecular weight of RefChem:390789 is 354.14 g/mol.
Where can I buy RefChem:390789?
You can request a quote for RefChem:390789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:390789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:390789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.