Pentane-1,5-diyl bis(2-bromopropionate)
TL;DR: Pentane-1,5-diyl bis(2-bromopropionate) (CAS 94023-70-8) 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-(2-bromopropanoyloxy)pentyl 2-bromopropanoate
Also Known As: pentane-1,5-diylbis, EINECS 301-668-9, Pentane-1,5-diyl bis(2-bromopropionate), pentane-1,5-diyl bis(2-bromopropanoate), Bis(2-bromopropanoic acid)1,5-pentanediyl
| Molecular Formula | C11H18Br2O4 |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 371.95718 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 94023-70-8 |
|---|---|
| SMILES | CC(C(=O)OCCCCCOC(=O)C(C)Br)Br |
| InChIKey | KPMRDMGYLIQKQC-UHFFFAOYSA-N |
Product Overview
Pentane-1,5-diyl bis(2-bromopropionate) (CAS 94023-70-8), with molecular formula C11H18Br2O4 and molecular weight 371.96 g/mol. IUPAC: 5-(2-bromopropanoyloxy)pentyl 2-bromopropanoate.
Chemical Property Profile of Pentane-1,5-diyl bis(2-bromopropionate)
Property Insights of Pentane-1,5-diyl bis(2-bromopropionate)
The XLogP value of 3.5 indicates that Pentane-1,5-diyl bis(2-bromopropionate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Pentane-1,5-diyl bis(2-bromopropionate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane-1,5-diyl bis(2-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(2-bromopropionate)?
The CAS number of Pentane-1,5-diyl bis(2-bromopropionate) is 94023-70-8.
What is the molecular formula of Pentane-1,5-diyl bis(2-bromopropionate)?
The molecular formula of Pentane-1,5-diyl bis(2-bromopropionate) is C11H18Br2O4.
What is the molecular weight of Pentane-1,5-diyl bis(2-bromopropionate)?
The molecular weight of Pentane-1,5-diyl bis(2-bromopropionate) is 371.96 g/mol.
Where can I buy Pentane-1,5-diyl bis(2-bromopropionate)?
You can request a quote for Pentane-1,5-diyl bis(2-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(2-bromopropionate)?
Yes, KEHONG BIO provides custom synthesis services for Pentane-1,5-diyl bis(2-bromopropionate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.