6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione
TL;DR: 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione (CAS 433696-72-1) is a chemical compound with molecular formula C18H21BrO4 and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyloxane-2,4-dione
Also Known As: A2972/0125262, 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione, 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyloxane-2,4-dione, 6-[(4-bromophenyl)carbonyl]-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione
| Molecular Formula | C18H21BrO4 |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 3.9589 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.06232 |
| Heavy Atoms | 23 |
| Complexity | 641.49036 |
Chemical Identifiers
| CAS Number | 433696-72-1 |
|---|---|
| SMILES | CCC1(C(OC(=O)C(C1=O)(C)C)C(=O)C2=CC=C(C=C2)Br)CC |
Product Overview
6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione (CAS 433696-72-1), with molecular formula C18H21BrO4 and molecular weight 380.06 g/mol. IUPAC: 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyloxane-2,4-dione.
Chemical Property Profile of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione
Property Insights of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione
The XLogP value of 3.9589 indicates that 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione. Following Lipinski's Rule of Five, 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione has 0 hydrogen bond donor(s) and 4 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 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione?
The CAS number of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione is 433696-72-1.
What is the molecular formula of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione?
The molecular formula of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione is C18H21BrO4.
What is the molecular weight of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione?
The molecular weight of 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione is 380.06 g/mol.
Where can I buy 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione?
You can request a quote for 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-bromobenzoyl)-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.