Pentane-1,5-diyl bis(3-bromopropionate)
TL;DR: Pentane-1,5-diyl bis(3-bromopropionate) (CAS 53219-90-2) is a chemical compound with molecular formula C11H18Br2O4 and molecular weight 371.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromopropanoyloxy)pentyl 3-bromopropanoate
Also Known As: Pentane-1,5-diyl bis(3-bromopropionate), pentane-1,5-diyl bis(3-bromopropanoate), Bis(3-bromopropionic acid)1,5-pentanediyl, 5-(3-bromopropanoyloxy)pentyl 3-bromopropanoate, Propanoic acid,3-bromo-, 1,5-pentanediyl ester (9CI)
| Molecular Formula | C11H18Br2O4 |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 373.95514 |
| Heavy Atoms | 17 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 53219-90-2 |
|---|---|
| SMILES | C(CCOC(=O)CCBr)CCOC(=O)CCBr |
| InChIKey | XFUTVHAXMLALRL-UHFFFAOYSA-N |
Product Overview
Pentane-1,5-diyl bis(3-bromopropionate) (CAS 53219-90-2), with molecular formula C11H18Br2O4 and molecular weight 371.96 g/mol. IUPAC: 5-(3-bromopropanoyloxy)pentyl 3-bromopropanoate.
Chemical Property Profile of Pentane-1,5-diyl bis(3-bromopropionate)
Property Insights of Pentane-1,5-diyl bis(3-bromopropionate)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentane-1,5-diyl bis(3-bromopropionate). With a topological polar surface area (TPSA) of 52.6 Ų, Pentane-1,5-diyl bis(3-bromopropionate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane-1,5-diyl bis(3-bromopropionate) has 0 hydrogen bond donor(s) and 4 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 Pentane-1,5-diyl bis(3-bromopropionate)?
The CAS number of Pentane-1,5-diyl bis(3-bromopropionate) is 53219-90-2.
What is the molecular formula of Pentane-1,5-diyl bis(3-bromopropionate)?
The molecular formula of Pentane-1,5-diyl bis(3-bromopropionate) is C11H18Br2O4.
What is the molecular weight of Pentane-1,5-diyl bis(3-bromopropionate)?
The molecular weight of Pentane-1,5-diyl bis(3-bromopropionate) is 371.96 g/mol.
Where can I buy Pentane-1,5-diyl bis(3-bromopropionate)?
You can request a quote for Pentane-1,5-diyl bis(3-bromopropionate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-1,5-diyl bis(3-bromopropionate)?
Yes, KEHONG BIO provides custom synthesis services for Pentane-1,5-diyl bis(3-bromopropionate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.