3-Butyn-2-ol, 4-bromo-2-cyclopropyl-
TL;DR: 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- (CAS 100450-29-1) is a chemical compound with molecular formula C7H9BrO and molecular weight 187.98367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-cyclopropylbut-3-yn-2-ol
Also Known As: 4-Bromo-2-cyclopropyl-3-butyn-2-ol, 4-bromo-2-cyclopropylbut-3-yn-2-ol, 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-, 4-06-00-00342 (Beilstein Handbook Reference), Cyclopropanemethanol, alpha-(2-bromoethynyl)-alpha-methyl-
Technical Specifications
| Molecular Formula | C7H9BrO |
| Molecular Weight | 187.98367 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.98367 Da |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
| SMILES | CC(C#CBr)(C1CC1)O |
| InChIKey | PDNBKHWZNVPEDF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-
Property Insights of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- 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
What is the CAS number of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-?
The CAS number of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- is 100450-29-1.
What is the molecular formula of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-?
The molecular formula of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- is C7H9BrO.
What is the molecular weight of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-?
The molecular weight of 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- is 187.98367 g/mol.
Where can I buy 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-?
You can request a quote for 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-?
Yes, CoreyChem provides custom synthesis services for 3-Butyn-2-ol, 4-bromo-2-cyclopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.