alpha-Ethynyl-alpha-methylcyclopropanemethanol
TL;DR: alpha-Ethynyl-alpha-methylcyclopropanemethanol (CAS 4378-02-3) is a chemical compound with molecular formula C7H10O and molecular weight 110.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclopropylbut-3-yn-2-ol
Also Known As: 2-cyclopropylbut-3-yn-2-ol, 2-Cyclopropyl-3-butyn-2-ol, 3-Butyn-2-ol, 2-cyclopropyl-, ZERO/005556, Cyclopropanemethanol, alpha-ethynyl-alpha-methyl-
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 4378-02-3 |
|---|---|
| SMILES | CC(C#C)(C1CC1)O |
| InChIKey | TXBLNDNWPNEHKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Ethynyl-alpha-methylcyclopropanemethanol (CAS 4378-02-3), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: 2-cyclopropylbut-3-yn-2-ol.
Chemical Property Profile of alpha-Ethynyl-alpha-methylcyclopropanemethanol
Property Insights of alpha-Ethynyl-alpha-methylcyclopropanemethanol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethynyl-alpha-methylcyclopropanemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-Ethynyl-alpha-methylcyclopropanemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethynyl-alpha-methylcyclopropanemethanol 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 alpha-Ethynyl-alpha-methylcyclopropanemethanol?
The CAS number of alpha-Ethynyl-alpha-methylcyclopropanemethanol is 4378-02-3.
What is the molecular formula of alpha-Ethynyl-alpha-methylcyclopropanemethanol?
The molecular formula of alpha-Ethynyl-alpha-methylcyclopropanemethanol is C7H10O.
What is the molecular weight of alpha-Ethynyl-alpha-methylcyclopropanemethanol?
The molecular weight of alpha-Ethynyl-alpha-methylcyclopropanemethanol is 110.07 g/mol.
Where can I buy alpha-Ethynyl-alpha-methylcyclopropanemethanol?
You can request a quote for alpha-Ethynyl-alpha-methylcyclopropanemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethynyl-alpha-methylcyclopropanemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethynyl-alpha-methylcyclopropanemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.