Butanoic acid, 2-(phenylseleno)-, ethyl ester
TL;DR: Butanoic acid, 2-(phenylseleno)-, ethyl ester (CAS 89113-94-0) is a chemical compound with molecular formula C12H16O2Se and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenylselanylbutanoate
Also Known As: ethyl 2-phenylselanylbutanoate, Ethyl 2-(phenylselanyl)butanoate, Butanoic acid, 2-(phenylseleno)-, ethyl ester, Ethyl 2-(phenylselanyl)butanoate #, 2-(Phenylseleno)butanoic acid ethyl ester
| Molecular Formula | C12H16O2Se |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 1.7777 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.03156 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 89113-94-0 |
|---|---|
| SMILES | CCC(C(=O)OCC)[Se]C1=CC=CC=C1 |
| InChIKey | WHWYFESJATUPQE-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-(phenylseleno)-, ethyl ester (CAS 89113-94-0), with molecular formula C12H16O2Se and molecular weight 272.03 g/mol. IUPAC: ethyl 2-phenylselanylbutanoate.
Chemical Property Profile of Butanoic acid, 2-(phenylseleno)-, ethyl ester
Property Insights of Butanoic acid, 2-(phenylseleno)-, ethyl ester
The XLogP value of 1.7777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(phenylseleno)-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2-(phenylseleno)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-(phenylseleno)-, ethyl ester 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 Butanoic acid, 2-(phenylseleno)-, ethyl ester?
The CAS number of Butanoic acid, 2-(phenylseleno)-, ethyl ester is 89113-94-0.
What is the molecular formula of Butanoic acid, 2-(phenylseleno)-, ethyl ester?
The molecular formula of Butanoic acid, 2-(phenylseleno)-, ethyl ester is C12H16O2Se.
What is the molecular weight of Butanoic acid, 2-(phenylseleno)-, ethyl ester?
The molecular weight of Butanoic acid, 2-(phenylseleno)-, ethyl ester is 272.03 g/mol.
Where can I buy Butanoic acid, 2-(phenylseleno)-, ethyl ester?
You can request a quote for Butanoic acid, 2-(phenylseleno)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(phenylseleno)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(phenylseleno)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.