Sch 57790
TL;DR: Sch 57790 (CAS 182136-73-8) is a chemical compound with molecular formula C25H31N3O2S and molecular weight 437.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile
Also Known As: J1.054.506D, 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile, 2-(4-CYCLOHEXYLPIPERAZIN-1-YL)-2-[4-(4-METHOXYBENZENESULFINYL)PHENYL]ACETONITRILE, (4-Cyclohexyl-piperazin-1-yl)-[4-(4-methoxy-benzenesulfinyl)-phenyl]-acetonitrile, 1-Piperazineacetonitrile,4-cyclohexyl-a-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]-
| Molecular Formula | C25H31N3O2S |
|---|---|
| Molecular Weight | 437.21 g/mol |
| LogP | 4.37688 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.21368 |
| Heavy Atoms | 31 |
| Complexity | 909.27844 |
Chemical Identifiers
| CAS Number | 182136-73-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4 |
Product Overview
Sch 57790 (CAS 182136-73-8), with molecular formula C25H31N3O2S and molecular weight 437.21 g/mol. IUPAC: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile.
Chemical Property Profile of Sch 57790
Property Insights of Sch 57790
The XLogP value of 4.37688 indicates that Sch 57790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.57 Ų, Sch 57790 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sch 57790 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 Sch 57790?
The CAS number of Sch 57790 is 182136-73-8.
What is the molecular formula of Sch 57790?
The molecular formula of Sch 57790 is C25H31N3O2S.
What is the molecular weight of Sch 57790?
The molecular weight of Sch 57790 is 437.21 g/mol.
Where can I buy Sch 57790?
You can request a quote for Sch 57790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sch 57790?
Yes, KEHONG BIO provides custom synthesis services for Sch 57790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.