1-(3-Diethylboranyloxyphenyl)ethanone
TL;DR: 1-(3-Diethylboranyloxyphenyl)ethanone (CAS 74663-94-8) is a chemical compound with molecular formula C12H17BO2 and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-diethylboranyloxyphenyl)ethanone
Also Known As: Diethyl borane, 3-Acetylphenyl diethylborinate, 1-(3-diethylboranyloxyphenyl)ethanone, Diethyl(3-acetylphenyloxy)borane, 3-Acetylphenyl diethylborinate #
| Molecular Formula | C12H17BO2 |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 3.2993 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.13216 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 74663-94-8 |
|---|---|
| SMILES | B(CC)(CC)OC1=CC=CC(=C1)C(=O)C |
| InChIKey | IGKWVDOFCPUZHC-UHFFFAOYSA-N |
Product Overview
1-(3-Diethylboranyloxyphenyl)ethanone (CAS 74663-94-8), with molecular formula C12H17BO2 and molecular weight 204.13 g/mol. IUPAC: 1-(3-diethylboranyloxyphenyl)ethanone.
Chemical Property Profile of 1-(3-Diethylboranyloxyphenyl)ethanone
Property Insights of 1-(3-Diethylboranyloxyphenyl)ethanone
The XLogP value of 3.2993 indicates that 1-(3-Diethylboranyloxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(3-Diethylboranyloxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Diethylboranyloxyphenyl)ethanone 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 1-(3-Diethylboranyloxyphenyl)ethanone?
The CAS number of 1-(3-Diethylboranyloxyphenyl)ethanone is 74663-94-8.
What is the molecular formula of 1-(3-Diethylboranyloxyphenyl)ethanone?
The molecular formula of 1-(3-Diethylboranyloxyphenyl)ethanone is C12H17BO2.
What is the molecular weight of 1-(3-Diethylboranyloxyphenyl)ethanone?
The molecular weight of 1-(3-Diethylboranyloxyphenyl)ethanone is 204.13 g/mol.
Where can I buy 1-(3-Diethylboranyloxyphenyl)ethanone?
You can request a quote for 1-(3-Diethylboranyloxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Diethylboranyloxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Diethylboranyloxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.