3-苯基-1-丙醇
TL;DR: 3-苯基-1-丙醇 (CAS 122-97-4) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基-1-丙醇
3-phenylpropan-1-ol
Also Known As: 3-Phenylpropan-1-ol, 3-PHENYL-1-PROPANOL, Benzenepropanol, 3-Phenylpropanol, Hydrocinnamyl alcohol
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
| Melting Point | <-18 °C |
| Boiling Point | 241 °C |
| Density | 0.995 g/cu cm at 25 °C |
| Solubility | In water, 5,680 mg/L at 25 °C |
| Flash Point | Flash Point: 100.0 °C/ 100 °C/ closed cup |
| Vapor Pressure | 0.0234 mm Hg at 25 °C (extrapolated from higher temperatures) |
| Refractive Index | 1.5357 at 25 °C |
Chemical Identifiers
| CAS Number | 122-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCO |
| InChIKey | VAJVDSVGBWFCLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基-1-丙醇 (CAS 122-97-4), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 3-phenylpropan-1-ol.
Chemical Property Profile of 3-苯基-1-丙醇
Property Insights of 3-苯基-1-丙醇
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基-1-丙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-苯基-1-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基-1-丙醇 has 1 hydrogen bond donor(s) and 1 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 3-苯基-1-丙醇?
The CAS number of 3-苯基-1-丙醇 is 122-97-4.
What is the molecular formula of 3-苯基-1-丙醇?
The molecular formula of 3-苯基-1-丙醇 is C9H12O.
What is the molecular weight of 3-苯基-1-丙醇?
The molecular weight of 3-苯基-1-丙醇 is 136.09 g/mol.
Where can I buy 3-苯基-1-丙醇?
You can request a quote for 3-苯基-1-丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基-1-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基-1-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.