2-Pentanone, 5-(acetyloxy)-1-bromo-
TL;DR: 2-Pentanone, 5-(acetyloxy)-1-bromo- (CAS 20206-80-8) is a chemical compound with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-4-oxopentyl) acetate
Also Known As: Bromoacetopropyl acetate, Bromoacetylpropyl acetate, 3-(Bromoacetyl)propyl acetate, 5-bromo-4-oxopentyl acetate, 1-Bromo-5-hydroxy-2-pentanone acetate
| Molecular Formula | C7H11BrO3 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.98917 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 20206-80-8 |
|---|---|
| SMILES | CC(=O)OCCCC(=O)CBr |
| InChIKey | AVKQWZGKSJQEAN-UHFFFAOYSA-N |
Product Overview
2-Pentanone, 5-(acetyloxy)-1-bromo- (CAS 20206-80-8), with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol. IUPAC: (5-bromo-4-oxopentyl) acetate.
Chemical Property Profile of 2-Pentanone, 5-(acetyloxy)-1-bromo-
Property Insights of 2-Pentanone, 5-(acetyloxy)-1-bromo-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 5-(acetyloxy)-1-bromo-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Pentanone, 5-(acetyloxy)-1-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 5-(acetyloxy)-1-bromo- 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-Pentanone, 5-(acetyloxy)-1-bromo-?
The CAS number of 2-Pentanone, 5-(acetyloxy)-1-bromo- is 20206-80-8.
What is the molecular formula of 2-Pentanone, 5-(acetyloxy)-1-bromo-?
The molecular formula of 2-Pentanone, 5-(acetyloxy)-1-bromo- is C7H11BrO3.
What is the molecular weight of 2-Pentanone, 5-(acetyloxy)-1-bromo-?
The molecular weight of 2-Pentanone, 5-(acetyloxy)-1-bromo- is 221.99 g/mol.
Where can I buy 2-Pentanone, 5-(acetyloxy)-1-bromo-?
You can request a quote for 2-Pentanone, 5-(acetyloxy)-1-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, 5-(acetyloxy)-1-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 5-(acetyloxy)-1-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.