2-(1-Methylcyclopropyl)but-3-yn-2-ol
TL;DR: 2-(1-Methylcyclopropyl)but-3-yn-2-ol (CAS 98558-09-9) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylcyclopropyl)but-3-yn-2-ol
Also Known As: 2-(1-methylcyclopropyl)but-3-yn-2-ol, 3-Butyn-2-ol, 2-(1-methylcyclopropyl)-,, (+/-)-2-(1-Methylcyclopropyl)but-3-yn-2-ol
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 98558-09-9 |
|---|---|
| SMILES | CC1(CC1)C(C)(C#C)O |
| InChIKey | MWOFUOAWMMDAHZ-UHFFFAOYSA-N |
Product Overview
2-(1-Methylcyclopropyl)but-3-yn-2-ol (CAS 98558-09-9), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 2-(1-methylcyclopropyl)but-3-yn-2-ol.
Chemical Property Profile of 2-(1-Methylcyclopropyl)but-3-yn-2-ol
Property Insights of 2-(1-Methylcyclopropyl)but-3-yn-2-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methylcyclopropyl)but-3-yn-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(1-Methylcyclopropyl)but-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylcyclopropyl)but-3-yn-2-ol 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-(1-Methylcyclopropyl)but-3-yn-2-ol?
The CAS number of 2-(1-Methylcyclopropyl)but-3-yn-2-ol is 98558-09-9.
What is the molecular formula of 2-(1-Methylcyclopropyl)but-3-yn-2-ol?
The molecular formula of 2-(1-Methylcyclopropyl)but-3-yn-2-ol is C8H12O.
What is the molecular weight of 2-(1-Methylcyclopropyl)but-3-yn-2-ol?
The molecular weight of 2-(1-Methylcyclopropyl)but-3-yn-2-ol is 124.09 g/mol.
Where can I buy 2-(1-Methylcyclopropyl)but-3-yn-2-ol?
You can request a quote for 2-(1-Methylcyclopropyl)but-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylcyclopropyl)but-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylcyclopropyl)but-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.