3-亚甲基苯乙醇
TL;DR: 3-亚甲基苯乙醇 (CAS 6006-81-1) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-亚甲基苯乙醇
2-phenylprop-2-en-1-ol
Also Known As: 2-Phenylprop-2-en-1-ol, beta-Methylenephenethyl alcohol, 2-Phenyl-2-propen-1-ol, 2-phenylallyl alcohol, 2-Phenylpropen-3-ol
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 6006-81-1 |
|---|---|
| SMILES | C=C(CO)C1=CC=CC=C1 |
| InChIKey | BSZGXCFUKRLAAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-亚甲基苯乙醇 (CAS 6006-81-1), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 2-phenylprop-2-en-1-ol.
Chemical Property Profile of 3-亚甲基苯乙醇
Property Insights of 3-亚甲基苯乙醇
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-亚甲基苯乙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-亚甲基苯乙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-亚甲基苯乙醇 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 β-亚甲基苯乙醇?
The CAS number of β-亚甲基苯乙醇 is 6006-81-1.
What is the molecular formula of β-亚甲基苯乙醇?
The molecular formula of β-亚甲基苯乙醇 is C9H10O.
What is the molecular weight of β-亚甲基苯乙醇?
The molecular weight of β-亚甲基苯乙醇 is 134.07 g/mol.
Where can I buy β-亚甲基苯乙醇?
You can request a quote for β-亚甲基苯乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-亚甲基苯乙醇?
Yes, KEHONG BIO provides custom synthesis services for β-亚甲基苯乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.