1,1,1-Trichloro-4-methylpent-4-en-2-ol
TL;DR: 1,1,1-Trichloro-4-methylpent-4-en-2-ol (CAS 25308-82-1) is a chemical compound with molecular formula C6H9Cl3O and molecular weight 201.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-4-methylpent-4-en-2-ol
Also Known As: 1,1,1-Trichloro-4-methylpent-4-en-2-ol, 1,1,1-Trichloro-4-methyl-4-penten-2-ol, 1,1,1-trichloro-2-hydroxy-4-methyl-4-pentene, 4-Penten-2-ol, 1,1,1-trichloro-4-methyl-, 4-methyl-1,1,1-trichloro-4-penten-2-ol
| Molecular Formula | C6H9Cl3O |
|---|---|
| Molecular Weight | 201.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.9719 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 25308-82-1 |
|---|---|
| SMILES | CC(=C)CC(C(Cl)(Cl)Cl)O |
| InChIKey | LWWJZSNCITZYEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trichloro-4-methylpent-4-en-2-ol (CAS 25308-82-1), with molecular formula C6H9Cl3O and molecular weight 201.97 g/mol. IUPAC: 1,1,1-trichloro-4-methylpent-4-en-2-ol.
Chemical Property Profile of 1,1,1-Trichloro-4-methylpent-4-en-2-ol
Property Insights of 1,1,1-Trichloro-4-methylpent-4-en-2-ol
The XLogP value of 3.2 indicates that 1,1,1-Trichloro-4-methylpent-4-en-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1,1,1-Trichloro-4-methylpent-4-en-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-4-methylpent-4-en-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 1,1,1-Trichloro-4-methylpent-4-en-2-ol?
The CAS number of 1,1,1-Trichloro-4-methylpent-4-en-2-ol is 25308-82-1.
What is the molecular formula of 1,1,1-Trichloro-4-methylpent-4-en-2-ol?
The molecular formula of 1,1,1-Trichloro-4-methylpent-4-en-2-ol is C6H9Cl3O.
What is the molecular weight of 1,1,1-Trichloro-4-methylpent-4-en-2-ol?
The molecular weight of 1,1,1-Trichloro-4-methylpent-4-en-2-ol is 201.97 g/mol.
Where can I buy 1,1,1-Trichloro-4-methylpent-4-en-2-ol?
You can request a quote for 1,1,1-Trichloro-4-methylpent-4-en-2-ol 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-4-methylpent-4-en-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-4-methylpent-4-en-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.