(4E)-5-chloropent-4-en-2-yn-1-ol
TL;DR: (4E)-5-chloropent-4-en-2-yn-1-ol (CAS 155454-57-2) is a chemical compound with molecular formula C5H5ClO and molecular weight 116.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-chloropent-4-en-2-yn-1-ol
Also Known As: 5-chloropent-4-en-2-yn-1-ol, (4E)-5-chloropent-4-en-2-yn-1-ol, 5-Chloro-4-pentene-2-yne-1-ol, (E)-5-chloropent-4-en-2-yn-1-ol, 5-Chloro-pent-4-en-2-yn-1-ol
| Molecular Formula | C5H5ClO |
|---|---|
| Molecular Weight | 116.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.00289 |
| Heavy Atoms | 7 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 155454-57-2 |
|---|---|
| SMILES | C(C#C/C=C/Cl)O |
| InChIKey | QCRWEGFSLUDMDM-DUXPYHPUSA-N |
Product Overview
(4E)-5-chloropent-4-en-2-yn-1-ol (CAS 155454-57-2), with molecular formula C5H5ClO and molecular weight 116.00 g/mol. IUPAC: (E)-5-chloropent-4-en-2-yn-1-ol.
Chemical Property Profile of (4E)-5-chloropent-4-en-2-yn-1-ol
Property Insights of (4E)-5-chloropent-4-en-2-yn-1-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-5-chloropent-4-en-2-yn-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, (4E)-5-chloropent-4-en-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-5-chloropent-4-en-2-yn-1-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 (4E)-5-chloropent-4-en-2-yn-1-ol?
The CAS number of (4E)-5-chloropent-4-en-2-yn-1-ol is 155454-57-2.
What is the molecular formula of (4E)-5-chloropent-4-en-2-yn-1-ol?
The molecular formula of (4E)-5-chloropent-4-en-2-yn-1-ol is C5H5ClO.
What is the molecular weight of (4E)-5-chloropent-4-en-2-yn-1-ol?
The molecular weight of (4E)-5-chloropent-4-en-2-yn-1-ol is 116.00 g/mol.
Where can I buy (4E)-5-chloropent-4-en-2-yn-1-ol?
You can request a quote for (4E)-5-chloropent-4-en-2-yn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-5-chloropent-4-en-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-chloropent-4-en-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.