Tert-butyl 3-chloropropaneperoxoate
TL;DR: Tert-butyl 3-chloropropaneperoxoate (CAS 30559-47-8) is a chemical compound with molecular formula C7H13ClO3 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-chloropropaneperoxoate
Also Known As: tert-butyl 3-chloropropaneperoxoate
| Molecular Formula | C7H13ClO3 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.05533 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 30559-47-8 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)CCCl |
| InChIKey | BCRLXJJPPABGFJ-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-chloropropaneperoxoate (CAS 30559-47-8), with molecular formula C7H13ClO3 and molecular weight 180.06 g/mol. IUPAC: tert-butyl 3-chloropropaneperoxoate.
Chemical Property Profile of Tert-butyl 3-chloropropaneperoxoate
Property Insights of Tert-butyl 3-chloropropaneperoxoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-chloropropaneperoxoate. With a topological polar surface area (TPSA) of 35.5 Ų, Tert-butyl 3-chloropropaneperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-chloropropaneperoxoate 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 Tert-butyl 3-chloropropaneperoxoate?
The CAS number of Tert-butyl 3-chloropropaneperoxoate is 30559-47-8.
What is the molecular formula of Tert-butyl 3-chloropropaneperoxoate?
The molecular formula of Tert-butyl 3-chloropropaneperoxoate is C7H13ClO3.
What is the molecular weight of Tert-butyl 3-chloropropaneperoxoate?
The molecular weight of Tert-butyl 3-chloropropaneperoxoate is 180.06 g/mol.
Where can I buy Tert-butyl 3-chloropropaneperoxoate?
You can request a quote for Tert-butyl 3-chloropropaneperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-chloropropaneperoxoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-chloropropaneperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.