2-Buten-1-ol, 4-chloro-3-methyl-
TL;DR: 2-Buten-1-ol, 4-chloro-3-methyl- (CAS 53170-97-1) is a chemical compound with molecular formula C5H9ClO and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-chloro-3-methylbut-2-en-1-ol
Also Known As: 4-Chloro-3-methylbut-2-en-1-ol, 2-Buten-1-ol, 4-chloro-3-methyl-, (E)-4-chloro-3-methyl-2-buten-1-ol, (E)-4-chloro-3-methylbut-2-en-1-ol, (2E)-4-chloro-3-methylbut-2-en-1-ol
| Molecular Formula | C5H9ClO |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 1.1638 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.034195 |
| Heavy Atoms | 7 |
| Complexity | 68.48041 |
Chemical Identifiers
| CAS Number | 53170-97-1 |
|---|---|
| SMILES | C/C(=C\CO)/CCl |
Product Overview
2-Buten-1-ol, 4-chloro-3-methyl- (CAS 53170-97-1), with molecular formula C5H9ClO and molecular weight 120.03 g/mol. IUPAC: (E)-4-chloro-3-methylbut-2-en-1-ol.
Chemical Property Profile of 2-Buten-1-ol, 4-chloro-3-methyl-
Property Insights of 2-Buten-1-ol, 4-chloro-3-methyl-
The XLogP value of 1.1638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-ol, 4-chloro-3-methyl-. With a topological polar surface area (TPSA) of 20.23 Ų, 2-Buten-1-ol, 4-chloro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-ol, 4-chloro-3-methyl- 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-Buten-1-ol, 4-chloro-3-methyl-?
The CAS number of 2-Buten-1-ol, 4-chloro-3-methyl- is 53170-97-1.
What is the molecular formula of 2-Buten-1-ol, 4-chloro-3-methyl-?
The molecular formula of 2-Buten-1-ol, 4-chloro-3-methyl- is C5H9ClO.
What is the molecular weight of 2-Buten-1-ol, 4-chloro-3-methyl-?
The molecular weight of 2-Buten-1-ol, 4-chloro-3-methyl- is 120.03 g/mol.
Where can I buy 2-Buten-1-ol, 4-chloro-3-methyl-?
You can request a quote for 2-Buten-1-ol, 4-chloro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-ol, 4-chloro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-ol, 4-chloro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.