2-Bromo-1,1,1-triethoxypropane
TL;DR: 2-Bromo-1,1,1-triethoxypropane (CAS 42216-95-5) is a chemical compound with molecular formula C9H19BrO3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,1,1-triethoxypropane
Also Known As: 2-bromo-1,1,1-triethoxypropane, Propane,2-bromo-1,1,1-triethoxy-, 2-bromo-1,1,1-triethoxy-propane, 1,1,1-triethoxy-2-bromopropane, J3.453.919G
| Molecular Formula | C9H19BrO3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.5331 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.05176 |
| Heavy Atoms | 13 |
| Complexity | 111.008675 |
Chemical Identifiers
| CAS Number | 42216-95-5 |
|---|---|
| SMILES | CCOC(C(C)Br)(OCC)OCC |
Product Overview
2-Bromo-1,1,1-triethoxypropane (CAS 42216-95-5), with molecular formula C9H19BrO3 and molecular weight 254.05 g/mol. IUPAC: 2-bromo-1,1,1-triethoxypropane.
Chemical Property Profile of 2-Bromo-1,1,1-triethoxypropane
Property Insights of 2-Bromo-1,1,1-triethoxypropane
The XLogP value of 2.5331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1,1,1-triethoxypropane. With a topological polar surface area (TPSA) of 27.69 Ų, 2-Bromo-1,1,1-triethoxypropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,1,1-triethoxypropane has 0 hydrogen bond donor(s) and 3 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 2-Bromo-1,1,1-triethoxypropane?
The CAS number of 2-Bromo-1,1,1-triethoxypropane is 42216-95-5.
What is the molecular formula of 2-Bromo-1,1,1-triethoxypropane?
The molecular formula of 2-Bromo-1,1,1-triethoxypropane is C9H19BrO3.
What is the molecular weight of 2-Bromo-1,1,1-triethoxypropane?
The molecular weight of 2-Bromo-1,1,1-triethoxypropane is 254.05 g/mol.
Where can I buy 2-Bromo-1,1,1-triethoxypropane?
You can request a quote for 2-Bromo-1,1,1-triethoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,1,1-triethoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,1,1-triethoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.