RefChem:333341
TL;DR: RefChem:333341 (CAS 40580-61-8) is a chemical compound with molecular formula C22H22O4 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] propan-2-yl carbonate
Also Known As: Carbonic acid, 1-methylethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester, 1-Methylethylcarbonic acid 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester, AM-814/41091002, isopropyl 2-mesityl-1-oxo-1H-inden-3-yl carbonate, [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] propan-2-yl carbonate
| Molecular Formula | C22H22O4 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1518 |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 40580-61-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C2=O)OC(=O)OC(C)C)C |
| InChIKey | ZJFVYFWOHMZGMZ-UHFFFAOYSA-N |
Product Overview
RefChem:333341 (CAS 40580-61-8), with molecular formula C22H22O4 and molecular weight 350.15 g/mol. IUPAC: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] propan-2-yl carbonate.
Chemical Property Profile of RefChem:333341
Property Insights of RefChem:333341
The XLogP value of 5.3 indicates that RefChem:333341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:333341 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333341 has 0 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 RefChem:333341?
The CAS number of RefChem:333341 is 40580-61-8.
What is the molecular formula of RefChem:333341?
The molecular formula of RefChem:333341 is C22H22O4.
What is the molecular weight of RefChem:333341?
The molecular weight of RefChem:333341 is 350.15 g/mol.
Where can I buy RefChem:333341?
You can request a quote for RefChem:333341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333341?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.