4-Chloro-2-methylbutan-2-ol
TL;DR: 4-Chloro-2-methylbutan-2-ol (CAS 1985-88-2) is a chemical compound with molecular formula C5H11ClO and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylbutan-2-ol
Also Known As: 4-chloro-2-methylbutan-2-ol, 4-Chloro-2-methyl-2-butanol, 2-Butanol, 4-chloro-2-methyl-, 4-Chlor-2-methylbutanol-2, 4-Chloro-2-methylbutane-2-ol
| Molecular Formula | C5H11ClO |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.04984 |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 1985-88-2 |
|---|---|
| SMILES | CC(C)(CCCl)O |
| InChIKey | IODFUQIUARVWJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methylbutan-2-ol (CAS 1985-88-2), with molecular formula C5H11ClO and molecular weight 122.05 g/mol. IUPAC: 4-chloro-2-methylbutan-2-ol.
Chemical Property Profile of 4-Chloro-2-methylbutan-2-ol
Property Insights of 4-Chloro-2-methylbutan-2-ol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methylbutan-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-2-methylbutan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylbutan-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-methylbutan-2-ol?
The CAS number of 4-Chloro-2-methylbutan-2-ol is 1985-88-2.
What is the molecular formula of 4-Chloro-2-methylbutan-2-ol?
The molecular formula of 4-Chloro-2-methylbutan-2-ol is C5H11ClO.
What is the molecular weight of 4-Chloro-2-methylbutan-2-ol?
The molecular weight of 4-Chloro-2-methylbutan-2-ol is 122.05 g/mol.
Where can I buy 4-Chloro-2-methylbutan-2-ol?
You can request a quote for 4-Chloro-2-methylbutan-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-methylbutan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylbutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.