Methyl 12-oxo-12-phenyldodecanoate
TL;DR: Methyl 12-oxo-12-phenyldodecanoate (CAS 104828-35-5) is a chemical compound with molecular formula C19H28O3 and molecular weight 304.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-oxo-12-phenyldodecanoate
Also Known As: methyl 12-oxo-12-phenyldodecanoate, 1,3-Cyclohexanedione,2-methylene, methyl12-oxo-12-phenyldodecanoate, 8038AC, methyl 12-oxo-12-phenyl-dodecanoate
| Molecular Formula | C19H28O3 |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 304.20386 |
| Heavy Atoms | 22 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 104828-35-5 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCCC(=O)C1=CC=CC=C1 |
| InChIKey | ASTXNWXOCUSENG-UHFFFAOYSA-N |
Product Overview
Methyl 12-oxo-12-phenyldodecanoate (CAS 104828-35-5), with molecular formula C19H28O3 and molecular weight 304.20 g/mol. IUPAC: methyl 12-oxo-12-phenyldodecanoate.
Chemical Property Profile of Methyl 12-oxo-12-phenyldodecanoate
Property Insights of Methyl 12-oxo-12-phenyldodecanoate
The XLogP value of 5.3 indicates that Methyl 12-oxo-12-phenyldodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 12-oxo-12-phenyldodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 12-oxo-12-phenyldodecanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 12-oxo-12-phenyldodecanoate?
The CAS number of Methyl 12-oxo-12-phenyldodecanoate is 104828-35-5.
What is the molecular formula of Methyl 12-oxo-12-phenyldodecanoate?
The molecular formula of Methyl 12-oxo-12-phenyldodecanoate is C19H28O3.
What is the molecular weight of Methyl 12-oxo-12-phenyldodecanoate?
The molecular weight of Methyl 12-oxo-12-phenyldodecanoate is 304.20 g/mol.
Where can I buy Methyl 12-oxo-12-phenyldodecanoate?
You can request a quote for Methyl 12-oxo-12-phenyldodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 12-oxo-12-phenyldodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 12-oxo-12-phenyldodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.