3-Buten-2-ol, 1-chloro-
TL;DR: 3-Buten-2-ol, 1-chloro- (CAS 671-56-7) 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.
1-chlorobut-3-en-2-ol
Also Known As: 1-Chloro-2-hydroxy-3-butene, 1-chlorobut-3-en-2-ol, 3-Buten-2-ol, 1-chloro-, 1-Chloro-3-buten-2-ol, 1-chloro-but-3-en-2-ol
| 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 | 671-56-7 |
|---|---|
| SMILES | C=CC(CCl)O |
| InChIKey | PIPLRXXGXUVQRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-ol, 1-chloro- (CAS 671-56-7), with molecular formula C4H7ClO and molecular weight 106.02 g/mol. IUPAC: 1-chlorobut-3-en-2-ol.
Chemical Property Profile of 3-Buten-2-ol, 1-chloro-
Property Insights of 3-Buten-2-ol, 1-chloro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-ol, 1-chloro-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Buten-2-ol, 1-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-ol, 1-chloro- 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-Buten-2-ol, 1-chloro-?
The CAS number of 3-Buten-2-ol, 1-chloro- is 671-56-7.
What is the molecular formula of 3-Buten-2-ol, 1-chloro-?
The molecular formula of 3-Buten-2-ol, 1-chloro- is C4H7ClO.
What is the molecular weight of 3-Buten-2-ol, 1-chloro-?
The molecular weight of 3-Buten-2-ol, 1-chloro- is 106.02 g/mol.
Where can I buy 3-Buten-2-ol, 1-chloro-?
You can request a quote for 3-Buten-2-ol, 1-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-ol, 1-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-ol, 1-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.