Pentan-3-yl 3-bromopropanoate
TL;DR: Pentan-3-yl 3-bromopropanoate (CAS 75293-82-2) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-3-yl 3-bromopropanoate
Also Known As: pentan-3-yl 3-bromopropanoate, Hexyl 3-bromopropionate
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 75293-82-2 |
|---|---|
| SMILES | CCC(CC)OC(=O)CCBr |
| InChIKey | BDAJUMIUUFFGCD-UHFFFAOYSA-N |
Product Overview
Pentan-3-yl 3-bromopropanoate (CAS 75293-82-2), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: pentan-3-yl 3-bromopropanoate.
Chemical Property Profile of Pentan-3-yl 3-bromopropanoate
Property Insights of Pentan-3-yl 3-bromopropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentan-3-yl 3-bromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Pentan-3-yl 3-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentan-3-yl 3-bromopropanoate has 0 hydrogen bond donor(s) and 2 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 Pentan-3-yl 3-bromopropanoate?
The CAS number of Pentan-3-yl 3-bromopropanoate is 75293-82-2.
What is the molecular formula of Pentan-3-yl 3-bromopropanoate?
The molecular formula of Pentan-3-yl 3-bromopropanoate is C8H15BrO2.
What is the molecular weight of Pentan-3-yl 3-bromopropanoate?
The molecular weight of Pentan-3-yl 3-bromopropanoate is 222.03 g/mol.
Where can I buy Pentan-3-yl 3-bromopropanoate?
You can request a quote for Pentan-3-yl 3-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentan-3-yl 3-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentan-3-yl 3-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.