ChemDiv1_024947
TL;DR: ChemDiv1_024947 (CAS 300727-98-4) is a chemical compound with molecular formula C23H27BrO4 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: ChemDiv1_024947, A0660/0030687, 2-[(4-bromophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(4-bromophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(4-bromophenyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)methyl]-5,5- dimethylcyclohexane-1,3-dione
| Molecular Formula | C23H27BrO4 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 5.3083 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.10928 |
| Heavy Atoms | 28 |
| Complexity | 841.09344 |
Chemical Identifiers
| CAS Number | 300727-98-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)Br)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
ChemDiv1_024947 (CAS 300727-98-4), with molecular formula C23H27BrO4 and molecular weight 446.11 g/mol. IUPAC: 2-[(4-bromophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of ChemDiv1_024947
Property Insights of ChemDiv1_024947
The XLogP value of 5.3083 indicates that ChemDiv1_024947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024947. Following Lipinski's Rule of Five, ChemDiv1_024947 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024947?
The CAS number of ChemDiv1_024947 is 300727-98-4.
What is the molecular formula of ChemDiv1_024947?
The molecular formula of ChemDiv1_024947 is C23H27BrO4.
What is the molecular weight of ChemDiv1_024947?
The molecular weight of ChemDiv1_024947 is 446.11 g/mol.
Where can I buy ChemDiv1_024947?
You can request a quote for ChemDiv1_024947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024947?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.