BAS 00732842
TL;DR: BAS 00732842 (CAS 310875-52-6) is a chemical compound with molecular formula C21H21NO5 and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Also Known As: BAS 00732842, AB00096737-01, 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one, (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione, (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
| Molecular Formula | C21H21NO5 |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.06372 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.14197 |
| Heavy Atoms | 27 |
| Complexity | 930.0882 |
Chemical Identifiers
| CAS Number | 310875-52-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C)C3=CC(=C(C=C3)OC)OC)/O |
Product Overview
BAS 00732842 (CAS 310875-52-6), with molecular formula C21H21NO5 and molecular weight 367.14 g/mol. IUPAC: (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00732842
Property Insights of BAS 00732842
The XLogP value of 3.06372 indicates that BAS 00732842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00732842. Following Lipinski's Rule of Five, BAS 00732842 has 1 hydrogen bond donor(s) and 5 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 BAS 00732842?
The CAS number of BAS 00732842 is 310875-52-6.
What is the molecular formula of BAS 00732842?
The molecular formula of BAS 00732842 is C21H21NO5.
What is the molecular weight of BAS 00732842?
The molecular weight of BAS 00732842 is 367.14 g/mol.
Where can I buy BAS 00732842?
You can request a quote for BAS 00732842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732842?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.