Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
TL;DR: Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate (CAS 5705-28-2) is a chemical compound with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
Also Known As: tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate, 3-(4-chloro-phenyl)-3-hydroxy-butyric acid tert-butyl ester, RefChem:383306
| Molecular Formula | C14H19ClO3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.10226 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5705-28-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C)(C1=CC=C(C=C1)Cl)O |
| InChIKey | NBBIOMLIBVYOTQ-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate (CAS 5705-28-2), with molecular formula C14H19ClO3 and molecular weight 270.10 g/mol. IUPAC: tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate.
Chemical Property Profile of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
Property Insights of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate has 1 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-(4-chlorophenyl)-3-hydroxybutanoate?
The CAS number of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate is 5705-28-2.
What is the molecular formula of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
The molecular formula of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate is C14H19ClO3.
What is the molecular weight of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
The molecular weight of Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate is 270.10 g/mol.
Where can I buy Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
You can request a quote for Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate 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-(4-chlorophenyl)-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.