1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone
TL;DR: 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone (CAS 25676-62-4) is a chemical compound with molecular formula C8H13Cl3O2 and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one
Also Known As: KST-1B2337, 1,1,1-trichloro-2-hydroxy-6-methyl-4-heptanone, 1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one, NCI60_041819, 1,1,1-Trichlor-6-methylheptan-2-ol-4-on
| Molecular Formula | C8H13Cl3O2 |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.99811 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 25676-62-4 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C(Cl)(Cl)Cl)O |
| InChIKey | LXHWHFYGBOTFKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone (CAS 25676-62-4), with molecular formula C8H13Cl3O2 and molecular weight 246.00 g/mol. IUPAC: 1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one.
Chemical Property Profile of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone
Property Insights of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone has 1 hydrogen bond donor(s) and 2 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 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone?
The CAS number of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone is 25676-62-4.
What is the molecular formula of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone?
The molecular formula of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone is C8H13Cl3O2.
What is the molecular weight of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone?
The molecular weight of 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone is 246.00 g/mol.
Where can I buy 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone?
You can request a quote for 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.