4-Chloro-2-cyclopropylbut-3-yn-2-ol
TL;DR: 4-Chloro-2-cyclopropylbut-3-yn-2-ol (CAS 77985-09-2) is a chemical compound with molecular formula C7H9ClO and molecular weight 144.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-cyclopropylbut-3-yn-2-ol
Also Known As: 4-chloro-2-cyclopropylbut-3-yn-2-ol, 4-Chloro-2-cyclopropyl-3-butyn-2-ol, 3-Butyn-2-ol, 4-chloro-2-cyclopropyl-, 3-Butyn-2-ol,4-chloro-2-cyclopropyl-, 4-06-00-00342 (Beilstein Handbook Reference)
| Molecular Formula | C7H9ClO |
|---|---|
| Molecular Weight | 144.03 g/mol |
| LogP | 1.3471 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.0342 |
| Heavy Atoms | 9 |
| Complexity | 159.4903 |
Chemical Identifiers
| CAS Number | 77985-09-2 |
|---|---|
| SMILES | CC(C#CCl)(C1CC1)O |
Product Overview
4-Chloro-2-cyclopropylbut-3-yn-2-ol (CAS 77985-09-2), with molecular formula C7H9ClO and molecular weight 144.03 g/mol. IUPAC: 4-chloro-2-cyclopropylbut-3-yn-2-ol.
Chemical Property Profile of 4-Chloro-2-cyclopropylbut-3-yn-2-ol
Property Insights of 4-Chloro-2-cyclopropylbut-3-yn-2-ol
The XLogP value of 1.3471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-cyclopropylbut-3-yn-2-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 4-Chloro-2-cyclopropylbut-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-cyclopropylbut-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 4-Chloro-2-cyclopropylbut-3-yn-2-ol?
The CAS number of 4-Chloro-2-cyclopropylbut-3-yn-2-ol is 77985-09-2.
What is the molecular formula of 4-Chloro-2-cyclopropylbut-3-yn-2-ol?
The molecular formula of 4-Chloro-2-cyclopropylbut-3-yn-2-ol is C7H9ClO.
What is the molecular weight of 4-Chloro-2-cyclopropylbut-3-yn-2-ol?
The molecular weight of 4-Chloro-2-cyclopropylbut-3-yn-2-ol is 144.03 g/mol.
Where can I buy 4-Chloro-2-cyclopropylbut-3-yn-2-ol?
You can request a quote for 4-Chloro-2-cyclopropylbut-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 4-Chloro-2-cyclopropylbut-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-cyclopropylbut-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.