正丙苯
TL;DR: 正丙苯 (CAS 103-65-1) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正丙苯
propylbenzene
Also Known As: Propylbenzene, N-PROPYLBENZENE, 1-Phenylpropane, Phenylpropane, Isocumene
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 60.0 |
| Melting Point | -99.0 °C |
| Boiling Point | 159.0 °C at 760 mmHg |
| Density | 0.862 - Less dense than water; will float |
| Solubility | Very slightly sol in water (0.06 g/l); sol in alcohol, ether |
| Flash Point | 47.8 °C |
| Vapor Pressure | 7.52 mmHg |
| Refractive Index | 1.4920 @ 20 °C |
Chemical Identifiers
| CAS Number | 103-65-1 |
|---|---|
| SMILES | CCCC1=CC=CC=C1 |
| InChIKey | ODLMAHJVESYWTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正丙苯 (CAS 103-65-1), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: propylbenzene.
Chemical Property Profile of 正丙苯
Property Insights of 正丙苯
The XLogP value of 3.7 indicates that 正丙苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 正丙苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正丙苯 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 正丙苯?
The CAS number of 正丙苯 is 103-65-1.
What is the molecular formula of 正丙苯?
The molecular formula of 正丙苯 is C9H12.
What is the molecular weight of 正丙苯?
The molecular weight of 正丙苯 is 120.09 g/mol.
Where can I buy 正丙苯?
You can request a quote for 正丙苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正丙苯?
Yes, KEHONG BIO provides custom synthesis services for 正丙苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.