RefChem:1064490
TL;DR: RefChem:1064490 (CAS 83677-23-0) is a chemical compound with molecular formula C18H25NO3S and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonylprop-2-enenitrile
Also Known As: J1.587.586K, beta-(Methylsulfonyl)-beta-cyano-3,5-di-tert.butyl-4-hydroxystyrene, 2-Propenenitrile, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-(methylsulfonyl)-, 3-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-(methylsulfonyl)-2-propenenitrile, (Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonylprop-2-enenitrile
| Molecular Formula | C18H25NO3S |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 3.89628 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.15552 |
| Heavy Atoms | 23 |
| Complexity | 748.0214 |
Chemical Identifiers
| CAS Number | 83677-23-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(/C#N)\S(=O)(=O)C |
Product Overview
RefChem:1064490 (CAS 83677-23-0), with molecular formula C18H25NO3S and molecular weight 335.16 g/mol. IUPAC: (Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonylprop-2-enenitrile.
Chemical Property Profile of RefChem:1064490
Property Insights of RefChem:1064490
The XLogP value of 3.89628 indicates that RefChem:1064490 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064490. Following Lipinski's Rule of Five, RefChem:1064490 has 1 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:1064490?
The CAS number of RefChem:1064490 is 83677-23-0.
What is the molecular formula of RefChem:1064490?
The molecular formula of RefChem:1064490 is C18H25NO3S.
What is the molecular weight of RefChem:1064490?
The molecular weight of RefChem:1064490 is 335.16 g/mol.
Where can I buy RefChem:1064490?
You can request a quote for RefChem:1064490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064490?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.