3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-
TL;DR: 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- (CAS 99566-50-4) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2R)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol
Also Known As: 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-, (E,2R)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol, (E,2S)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 3.2354 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 575.7988 |
Chemical Identifiers
| CAS Number | 99566-50-4 |
|---|---|
| SMILES | C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@H](CO)O |
Product Overview
3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- (CAS 99566-50-4), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: (E,2R)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol.
Chemical Property Profile of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-
Property Insights of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-
The XLogP value of 3.2354 indicates that 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- has 2 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-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-?
The CAS number of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- is 99566-50-4.
What is the molecular formula of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-?
The molecular formula of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- is C17H18O3.
What is the molecular weight of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-?
The molecular weight of 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- is 270.13 g/mol.
Where can I buy 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-?
You can request a quote for 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butene-1,2-diol, 3-methyl-4-(3-phenoxyphenyl)-, (R-(E))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.