2-Chlorobut-3-en-1-ol
TL;DR: 2-Chlorobut-3-en-1-ol (CAS 75455-41-3) is a chemical compound with molecular formula C4H7ClO and molecular weight 106.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorobut-3-en-1-ol
Also Known As: 2-chlorobut-3-en-1-ol, 4-HYDROXY-3-CHLORO-1-BUTENE, 2-CHLORO-3-BUTEN-1-OL, 3-Buten-1-ol, 2-chloro-, J1.591.023B
| Molecular Formula | C4H7ClO |
|---|---|
| Molecular Weight | 106.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.01854 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 75455-41-3 |
|---|---|
| SMILES | C=CC(CO)Cl |
| InChIKey | FNBIWDGYHRVZFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorobut-3-en-1-ol (CAS 75455-41-3), with molecular formula C4H7ClO and molecular weight 106.02 g/mol. IUPAC: 2-chlorobut-3-en-1-ol.
Chemical Property Profile of 2-Chlorobut-3-en-1-ol
Property Insights of 2-Chlorobut-3-en-1-ol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorobut-3-en-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Chlorobut-3-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobut-3-en-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 2-Chlorobut-3-en-1-ol?
The CAS number of 2-Chlorobut-3-en-1-ol is 75455-41-3.
What is the molecular formula of 2-Chlorobut-3-en-1-ol?
The molecular formula of 2-Chlorobut-3-en-1-ol is C4H7ClO.
What is the molecular weight of 2-Chlorobut-3-en-1-ol?
The molecular weight of 2-Chlorobut-3-en-1-ol is 106.02 g/mol.
Where can I buy 2-Chlorobut-3-en-1-ol?
You can request a quote for 2-Chlorobut-3-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobut-3-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobut-3-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.