Tert-butyl 3-chloropropanoate
TL;DR: Tert-butyl 3-chloropropanoate (CAS 55710-80-0) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-chloropropanoate
Also Known As: tert-butyl 3-chloropropanoate, t-Butyl 3-chloropropanoate, t-butyl chloropropionate, tert-butyl3-chloropropanoate, t-butyl 3-chloropropan-oate
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 55710-80-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCCl |
| InChIKey | PGULCJLBEJUCRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 3-chloropropanoate (CAS 55710-80-0), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: tert-butyl 3-chloropropanoate.
Chemical Property Profile of Tert-butyl 3-chloropropanoate
Property Insights of Tert-butyl 3-chloropropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-chloropropanoate 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 Tert-butyl 3-chloropropanoate?
The CAS number of Tert-butyl 3-chloropropanoate is 55710-80-0.
What is the molecular formula of Tert-butyl 3-chloropropanoate?
The molecular formula of Tert-butyl 3-chloropropanoate is C7H13ClO2.
What is the molecular weight of Tert-butyl 3-chloropropanoate?
The molecular weight of Tert-butyl 3-chloropropanoate is 164.06 g/mol.
Where can I buy Tert-butyl 3-chloropropanoate?
You can request a quote for Tert-butyl 3-chloropropanoate 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-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.