p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate
TL;DR: p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate (CAS 97889-93-5) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate
Also Known As: p- phenylhydrogencarbonate, p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate, 4-(2-phenylpropan-2-yl)phenylhydrogen carbonate, 4-(2-phenylpropan-2-yl)phenyl hydrogen carbonate, [4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 97889-93-5 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)O |
| InChIKey | UGKSTGOPBDJAGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate (CAS 97889-93-5), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: [4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate.
Chemical Property Profile of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate
Property Insights of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate
The XLogP value of 4.5 indicates that p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate 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 p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The CAS number of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate is 97889-93-5.
What is the molecular formula of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The molecular formula of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate is C16H16O3.
What is the molecular weight of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The molecular weight of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate is 256.11 g/mol.
Where can I buy p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
You can request a quote for p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
Yes, KEHONG BIO provides custom synthesis services for p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.