1-Chloropinacolone
TL;DR: 1-Chloropinacolone (CAS 13547-70-1) is a chemical compound with molecular formula C6H11ClO and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3,3-dimethylbutan-2-one
Also Known As: 1-Chloropinacolone, Chlorpinakolin, 1-Monochloropinacoline, 1-Chloropinacolin, alpha-Chloropinacolin
| Molecular Formula | C6H11ClO |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.04984 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 13547-70-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)CCl |
| InChIKey | ULSAJQMHTGKPIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloropinacolone (CAS 13547-70-1), with molecular formula C6H11ClO and molecular weight 134.05 g/mol. IUPAC: 1-chloro-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-Chloropinacolone
Property Insights of 1-Chloropinacolone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloropinacolone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloropinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloropinacolone has 0 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 1-Chloropinacolone?
The CAS number of 1-Chloropinacolone is 13547-70-1.
What is the molecular formula of 1-Chloropinacolone?
The molecular formula of 1-Chloropinacolone is C6H11ClO.
What is the molecular weight of 1-Chloropinacolone?
The molecular weight of 1-Chloropinacolone is 134.05 g/mol.
Where can I buy 1-Chloropinacolone?
You can request a quote for 1-Chloropinacolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloropinacolone?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloropinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.