A1953/0082080
TL;DR: A1953/0082080 (CAS 330155-84-5) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate
Also Known As: A1953/0082080, diethyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 2.976 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 719.0475 |
Chemical Identifiers
| CAS Number | 330155-84-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)C(C)C |
Product Overview
A1953/0082080 (CAS 330155-84-5), with molecular formula C22H30O6 and molecular weight 390.20 g/mol. IUPAC: diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of A1953/0082080
Property Insights of A1953/0082080
The XLogP value of 2.976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1953/0082080. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A1953/0082080. Following Lipinski's Rule of Five, A1953/0082080 has 1 hydrogen bond donor(s) and 6 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 A1953/0082080?
The CAS number of A1953/0082080 is 330155-84-5.
What is the molecular formula of A1953/0082080?
The molecular formula of A1953/0082080 is C22H30O6.
What is the molecular weight of A1953/0082080?
The molecular weight of A1953/0082080 is 390.20 g/mol.
Where can I buy A1953/0082080?
You can request a quote for A1953/0082080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1953/0082080?
Yes, KEHONG BIO provides custom synthesis services for A1953/0082080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.