2-甲基烯丙醇
TL;DR: 2-甲基烯丙醇 (CAS 513-42-8) is a chemical compound with molecular formula C4H8O and molecular weight 72.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基烯丙醇
2-methylprop-2-en-1-ol
Also Known As: METHALLYL ALCOHOL, 2-Methylprop-2-en-1-ol, 2-Methyl-2-propen-1-ol, Isopropenyl carbinol, 2-Methylallyl alcohol
| Molecular Formula | C4H8O |
|---|---|
| Molecular Weight | 72.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 |
| Heavy Atoms | 5 |
| Complexity | 38.0 |
| Boiling Point | 115.0 °C at 760 mmHg |
| Density | 0.8515 at 20.0 °C - Less dense than water; will float |
| Flash Point | 33.3 °C |
Chemical Identifiers
| CAS Number | 513-42-8 |
|---|---|
| SMILES | CC(=C)CO |
| InChIKey | BYDRTKVGBRTTIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基烯丙醇 (CAS 513-42-8), with molecular formula C4H8O and molecular weight 72.06 g/mol. IUPAC: 2-methylprop-2-en-1-ol.
Chemical Property Profile of 2-甲基烯丙醇
Property Insights of 2-甲基烯丙醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基烯丙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-甲基烯丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基烯丙醇 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 2-甲基烯丙醇?
The CAS number of 2-甲基烯丙醇 is 513-42-8.
What is the molecular formula of 2-甲基烯丙醇?
The molecular formula of 2-甲基烯丙醇 is C4H8O.
What is the molecular weight of 2-甲基烯丙醇?
The molecular weight of 2-甲基烯丙醇 is 72.06 g/mol.
Where can I buy 2-甲基烯丙醇?
You can request a quote for 2-甲基烯丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基烯丙醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基烯丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.