ChemDiv1_027726
TL;DR: ChemDiv1_027726 (CAS 304665-75-6) is a chemical compound with molecular formula C30H34O5 and molecular weight 474.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: ChemDiv1_027726, BIM-0016400.P001, A1873/0078828, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C30H34O5 |
|---|---|
| Molecular Weight | 474.24 g/mol |
| LogP | 6.1248 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.24063 |
| Heavy Atoms | 35 |
| Complexity | 1152.2428 |
Chemical Identifiers
| CAS Number | 304665-75-6 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)C |
Product Overview
ChemDiv1_027726 (CAS 304665-75-6), with molecular formula C30H34O5 and molecular weight 474.24 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of ChemDiv1_027726
Property Insights of ChemDiv1_027726
The XLogP value of 6.1248 indicates that ChemDiv1_027726 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027726. Following Lipinski's Rule of Five, ChemDiv1_027726 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027726?
The CAS number of ChemDiv1_027726 is 304665-75-6.
What is the molecular formula of ChemDiv1_027726?
The molecular formula of ChemDiv1_027726 is C30H34O5.
What is the molecular weight of ChemDiv1_027726?
The molecular weight of ChemDiv1_027726 is 474.24 g/mol.
Where can I buy ChemDiv1_027726?
You can request a quote for ChemDiv1_027726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027726?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.