异丁基苯
TL;DR: 异丁基苯 (CAS 538-93-2) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁基苯
2-methylpropylbenzene
Also Known As: ISOBUTYLBENZENE, (2-Methylpropyl)benzene, iso-butylbenzene, 2-methylpropylbenzene, 2-Methyl-1-phenylpropane
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 78.0 |
| Vapor Pressure | 1.93 [mmHg] |
Chemical Identifiers
| CAS Number | 538-93-2 |
|---|---|
| SMILES | CC(C)CC1=CC=CC=C1 |
| InChIKey | KXUHSQYYJYAXGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁基苯 (CAS 538-93-2), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: 2-methylpropylbenzene.
Chemical Property Profile of 异丁基苯
Property Insights of 异丁基苯
The XLogP value of 3.9 indicates that 异丁基苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 异丁基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁基苯 has 0 hydrogen bond donor(s) and 0 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 异丁基苯?
The CAS number of 异丁基苯 is 538-93-2.
What is the molecular formula of 异丁基苯?
The molecular formula of 异丁基苯 is C10H14.
What is the molecular weight of 异丁基苯?
The molecular weight of 异丁基苯 is 134.11 g/mol.
Where can I buy 异丁基苯?
You can request a quote for 异丁基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁基苯?
Yes, KEHONG BIO provides custom synthesis services for 异丁基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.