3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-
TL;DR: 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- (CAS 99566-48-0) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2S)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enenitrile
Also Known As: 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-, (E,2S)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enenitrile
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.76668 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 641.5396 |
Chemical Identifiers
| CAS Number | 99566-48-0 |
|---|---|
| SMILES | C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@@H](C#N)O |
Product Overview
3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- (CAS 99566-48-0), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: (E,2S)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enenitrile.
Chemical Property Profile of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-
Property Insights of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-
The XLogP value of 3.76668 indicates that 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.25 Ų, 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- has 1 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 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-?
The CAS number of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- is 99566-48-0.
What is the molecular formula of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-?
The molecular formula of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- is C17H15NO2.
What is the molecular weight of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-?
The molecular weight of 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- is 265.11 g/mol.
Where can I buy 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-?
You can request a quote for 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenenitrile, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, (S-(E))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.