三氯叔丁醇
TL;DR: 三氯叔丁醇 (CAS 57-15-8) is a chemical compound with molecular formula C4H7Cl3O and molecular weight 175.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯叔丁醇
1,1,1-trichloro-2-methylpropan-2-ol
Also Known As: Chlorobutanol, Chlorbutol, Chloreton, Acetonchloroform, Acetochlorone
| Molecular Formula | C4H7Cl3O |
|---|---|
| Molecular Weight | 175.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.95625 |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
| Melting Point | 99 |
| Boiling Point | 167 |
| Solubility | INSOL IN COLD WATER, SOL IN HOT WATER |
| Vapor Pressure | 0.83 [mmHg] |
| Refractive Index | 1.4339 @ 25 °C |
Chemical Identifiers
| CAS Number | 57-15-8 |
|---|---|
| SMILES | CC(C)(C(Cl)(Cl)Cl)O |
| InChIKey | OSASVXMJTNOKOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯叔丁醇 (CAS 57-15-8), with molecular formula C4H7Cl3O and molecular weight 175.96 g/mol. IUPAC: 1,1,1-trichloro-2-methylpropan-2-ol.
Chemical Property Profile of 三氯叔丁醇
Property Insights of 三氯叔丁醇
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯叔丁醇. With a topological polar surface area (TPSA) of 20.2 Ų, 三氯叔丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯叔丁醇 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 三氯叔丁醇?
The CAS number of 三氯叔丁醇 is 57-15-8.
What is the molecular formula of 三氯叔丁醇?
The molecular formula of 三氯叔丁醇 is C4H7Cl3O.
What is the molecular weight of 三氯叔丁醇?
The molecular weight of 三氯叔丁醇 is 175.96 g/mol.
Where can I buy 三氯叔丁醇?
You can request a quote for 三氯叔丁醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯叔丁醇?
Yes, KEHONG BIO provides custom synthesis services for 三氯叔丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.