acs.jmedchem.1c00409_ST.722
TL;DR: acs.jmedchem.1c00409_ST.722 (CAS 433325-53-2) is a chemical compound with molecular formula C27H34N2O6 and molecular weight 482.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
Also Known As: acs.jmedchem.1c00409_ST.722, BAS 03540562, AB00979453-01, AS-871/41501655, 1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-isobutoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H34N2O6 |
|---|---|
| Molecular Weight | 482.24 g/mol |
| LogP | 3.72732 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.2417 |
| Heavy Atoms | 35 |
| Complexity | 1138.4866 |
Chemical Identifiers
| CAS Number | 433325-53-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(C)C)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)O)OC)/O |
Product Overview
acs.jmedchem.1c00409_ST.722 (CAS 433325-53-2), with molecular formula C27H34N2O6 and molecular weight 482.24 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of acs.jmedchem.1c00409_ST.722
Property Insights of acs.jmedchem.1c00409_ST.722
The XLogP value of 3.72732 indicates that acs.jmedchem.1c00409_ST.722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for acs.jmedchem.1c00409_ST.722. Following Lipinski's Rule of Five, acs.jmedchem.1c00409_ST.722 has 2 hydrogen bond donor(s) and 7 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 acs.jmedchem.1c00409_ST.722?
The CAS number of acs.jmedchem.1c00409_ST.722 is 433325-53-2.
What is the molecular formula of acs.jmedchem.1c00409_ST.722?
The molecular formula of acs.jmedchem.1c00409_ST.722 is C27H34N2O6.
What is the molecular weight of acs.jmedchem.1c00409_ST.722?
The molecular weight of acs.jmedchem.1c00409_ST.722 is 482.24 g/mol.
Where can I buy acs.jmedchem.1c00409_ST.722?
You can request a quote for acs.jmedchem.1c00409_ST.722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for acs.jmedchem.1c00409_ST.722?
Yes, KEHONG BIO provides custom synthesis services for acs.jmedchem.1c00409_ST.722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.