2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol
TL;DR: 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol (CAS 899446-22-1) 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.
5-(3-phenyloxiran-2-yl)-2-propan-2-ylbenzene-1,3-diol
Also Known As: 2-isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol, 5-(3-phenyloxiran-2-yl)-2-propan-2-yl-benzene-1,3-diol, 5-(3-Phenyloxiran-2-yl)-2-propan-2-ylbenzene-1,3-diol, 5-(3-Phenyloxiran-2-yl)-2-(propan-2-yl)benzene-1,3-diol, RefChem:909973
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.0338 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 596.38226 |
Chemical Identifiers
| CAS Number | 899446-22-1 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1O)C2C(O2)C3=CC=CC=C3)O |
Product Overview
2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol (CAS 899446-22-1), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: 5-(3-phenyloxiran-2-yl)-2-propan-2-ylbenzene-1,3-diol.
Chemical Property Profile of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol
Property Insights of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol
The XLogP value of 4.0338 indicates that 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.99 Ų, 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol 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 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol?
The CAS number of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol is 899446-22-1.
What is the molecular formula of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol?
The molecular formula of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol is C17H18O3.
What is the molecular weight of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol?
The molecular weight of 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol is 270.13 g/mol.
Where can I buy 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol?
You can request a quote for 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-(3-phenyl-oxiranyl)-benzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.