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 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-
| Molecular Formula | C7H9BrO |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 1.5032 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.98367 |
| Heavy Atoms | 9 |
| Complexity | 159.4903 |
Chemical Identifiers
| CAS Number | 100450-29-1 |
|---|---|
| SMILES | CC(C#CBr)(C1CC1)O |
Product Overview
3-Butyn-2-ol, 4-bromo-2-cyclopropyl- (CAS 100450-29-1), with molecular formula C7H9BrO and molecular weight 187.98 g/mol. IUPAC: 4-bromo-2-cyclopropylbut-3-yn-2-ol.
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 1.5032 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 20.23 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
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 187.98 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-?
Yes, KEHONG BIO 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.