1,1,1-Tribromo-2-methyl-2-propanol
TL;DR: 1,1,1-Tribromo-2-methyl-2-propanol (CAS 76-08-4) is a chemical compound with molecular formula C4H7Br3O and molecular weight 307.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-tribromo-2-methylpropan-2-ol
Also Known As: Brometone, Bromobutanol, Acetonbromoform, Brometon, Acetone-bromoform
| Molecular Formula | C4H7Br3O |
|---|---|
| Molecular Weight | 307.80 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.80264 |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
| Melting Point | 167-176 °C (CRYSTALS FROM DIL ALCOHOL); 169 °C (CRYSTALS FROM ETHER) |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER |
| Vapor Pressure | 0.00111 [mmHg] |
Chemical Identifiers
| CAS Number | 76-08-4 |
|---|---|
| SMILES | CC(C)(C(Br)(Br)Br)O |
| InChIKey | JUGRTVJQTFZHOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Tribromo-2-methyl-2-propanol (CAS 76-08-4), with molecular formula C4H7Br3O and molecular weight 307.80 g/mol. IUPAC: 1,1,1-tribromo-2-methylpropan-2-ol.
Chemical Property Profile of 1,1,1-Tribromo-2-methyl-2-propanol
Property Insights of 1,1,1-Tribromo-2-methyl-2-propanol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Tribromo-2-methyl-2-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1,1,1-Tribromo-2-methyl-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Tribromo-2-methyl-2-propanol 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-Tribromo-2-methyl-2-propanol?
The CAS number of 1,1,1-Tribromo-2-methyl-2-propanol is 76-08-4.
What is the molecular formula of 1,1,1-Tribromo-2-methyl-2-propanol?
The molecular formula of 1,1,1-Tribromo-2-methyl-2-propanol is C4H7Br3O.
What is the molecular weight of 1,1,1-Tribromo-2-methyl-2-propanol?
The molecular weight of 1,1,1-Tribromo-2-methyl-2-propanol is 307.80 g/mol.
Where can I buy 1,1,1-Tribromo-2-methyl-2-propanol?
You can request a quote for 1,1,1-Tribromo-2-methyl-2-propanol 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-Tribromo-2-methyl-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Tribromo-2-methyl-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.