3-Bromo-2,2-dimethyl-1-propanol
TL;DR: 3-Bromo-2,2-dimethyl-1-propanol (CAS 40894-00-6) is a chemical compound with molecular formula C5H11BrO and molecular weight 166.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,2-dimethylpropan-1-ol
Also Known As: 3-Bromo-2,2-dimethyl-1-propanol, 3-bromo-2,2-dimethylpropan-1-ol, 3-bromo-2,2-dimethyl-propan-1-ol, 3-bromo-2,2-dimethylpropanol, 1-Propanol,3-bromo-2,2-dimethyl-
| Molecular Formula | C5H11BrO |
|---|---|
| Molecular Weight | 166.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.99933 |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 40894-00-6 |
|---|---|
| SMILES | CC(C)(CO)CBr |
| InChIKey | KQOQXYPZBYTICM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-2,2-dimethyl-1-propanol (CAS 40894-00-6), with molecular formula C5H11BrO and molecular weight 166.00 g/mol. IUPAC: 3-bromo-2,2-dimethylpropan-1-ol.
Chemical Property Profile of 3-Bromo-2,2-dimethyl-1-propanol
Property Insights of 3-Bromo-2,2-dimethyl-1-propanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,2-dimethyl-1-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Bromo-2,2-dimethyl-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,2-dimethyl-1-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 3-Bromo-2,2-dimethyl-1-propanol?
The CAS number of 3-Bromo-2,2-dimethyl-1-propanol is 40894-00-6.
What is the molecular formula of 3-Bromo-2,2-dimethyl-1-propanol?
The molecular formula of 3-Bromo-2,2-dimethyl-1-propanol is C5H11BrO.
What is the molecular weight of 3-Bromo-2,2-dimethyl-1-propanol?
The molecular weight of 3-Bromo-2,2-dimethyl-1-propanol is 166.00 g/mol.
Where can I buy 3-Bromo-2,2-dimethyl-1-propanol?
You can request a quote for 3-Bromo-2,2-dimethyl-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,2-dimethyl-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,2-dimethyl-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.