1-Isopropyl-3-methyl-2-phenylbutyl acetate
TL;DR: 1-Isopropyl-3-methyl-2-phenylbutyl acetate (CAS 101271-67-4) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethyl-4-phenylhexan-3-yl) acetate
Also Known As: 1-isopropyl-3-methyl-2-phenylbutyl acetate, (2,5-dimethyl-4-phenylhexan-3-yl) acetate, (2,5-dimethyl-4-phenyl-hexan-3-yl) Acetate, acetic acid 1-isopropyl-3-methyl-2-phenyl-butyl ester
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 4.0139 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 367.94318 |
Chemical Identifiers
| CAS Number | 101271-67-4 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)C(C(C)C)OC(=O)C |
Product Overview
1-Isopropyl-3-methyl-2-phenylbutyl acetate (CAS 101271-67-4), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: (2,5-dimethyl-4-phenylhexan-3-yl) acetate.
Chemical Property Profile of 1-Isopropyl-3-methyl-2-phenylbutyl acetate
Property Insights of 1-Isopropyl-3-methyl-2-phenylbutyl acetate
The XLogP value of 4.0139 indicates that 1-Isopropyl-3-methyl-2-phenylbutyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Isopropyl-3-methyl-2-phenylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-3-methyl-2-phenylbutyl acetate has 0 hydrogen bond donor(s) and 2 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 1-Isopropyl-3-methyl-2-phenylbutyl acetate?
The CAS number of 1-Isopropyl-3-methyl-2-phenylbutyl acetate is 101271-67-4.
What is the molecular formula of 1-Isopropyl-3-methyl-2-phenylbutyl acetate?
The molecular formula of 1-Isopropyl-3-methyl-2-phenylbutyl acetate is C16H24O2.
What is the molecular weight of 1-Isopropyl-3-methyl-2-phenylbutyl acetate?
The molecular weight of 1-Isopropyl-3-methyl-2-phenylbutyl acetate is 248.18 g/mol.
Where can I buy 1-Isopropyl-3-methyl-2-phenylbutyl acetate?
You can request a quote for 1-Isopropyl-3-methyl-2-phenylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyl-3-methyl-2-phenylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-3-methyl-2-phenylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.