Pentane-1,5-diyl bis(chloroacetate)
TL;DR: Pentane-1,5-diyl bis(chloroacetate) (CAS 90077-32-0) is a chemical compound with molecular formula C9H14Cl2O4 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroacetyl)oxypentyl 2-chloroacetate
Also Known As: pentane-1,5-diyl bis(chloroacetate), Bis(chloroacetic acid)1,5-pentanediyl, 5-(2-chloroacetyl)oxypentyl 2-chloroacetate, 5-[(2-CHLOROACETYL)OXY]PENTYL 2-CHLOROACETATE
| Molecular Formula | C9H14Cl2O4 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 256.02692 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 90077-32-0 |
|---|---|
| SMILES | C(CCOC(=O)CCl)CCOC(=O)CCl |
| InChIKey | OQORMPABZFOUFE-UHFFFAOYSA-N |
Product Overview
Pentane-1,5-diyl bis(chloroacetate) (CAS 90077-32-0), with molecular formula C9H14Cl2O4 and molecular weight 256.03 g/mol. IUPAC: 5-(2-chloroacetyl)oxypentyl 2-chloroacetate.
Chemical Property Profile of Pentane-1,5-diyl bis(chloroacetate)
Property Insights of Pentane-1,5-diyl bis(chloroacetate)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentane-1,5-diyl bis(chloroacetate). With a topological polar surface area (TPSA) of 52.6 Ų, Pentane-1,5-diyl bis(chloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane-1,5-diyl bis(chloroacetate) 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(chloroacetate)?
The CAS number of Pentane-1,5-diyl bis(chloroacetate) is 90077-32-0.
What is the molecular formula of Pentane-1,5-diyl bis(chloroacetate)?
The molecular formula of Pentane-1,5-diyl bis(chloroacetate) is C9H14Cl2O4.
What is the molecular weight of Pentane-1,5-diyl bis(chloroacetate)?
The molecular weight of Pentane-1,5-diyl bis(chloroacetate) is 256.03 g/mol.
Where can I buy Pentane-1,5-diyl bis(chloroacetate)?
You can request a quote for Pentane-1,5-diyl bis(chloroacetate) 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(chloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for Pentane-1,5-diyl bis(chloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.