BAS 03379047
TL;DR: BAS 03379047 (CAS 431996-79-1) is a chemical compound with molecular formula C27H31FN2O5 and molecular weight 482.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-ethoxy-2-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: BAS 03379047, AB00117130-01, 4-(4-ethoxy-2-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(4-ethoxy-2-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H31FN2O5 |
|---|---|
| Molecular Weight | 482.22 g/mol |
| LogP | 3.67682 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.2217 |
| Heavy Atoms | 35 |
| Complexity | 1109.0547 |
Chemical Identifiers
| CAS Number | 431996-79-1 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)/O)C |
Product Overview
BAS 03379047 (CAS 431996-79-1), with molecular formula C27H31FN2O5 and molecular weight 482.22 g/mol. IUPAC: (4E)-4-[(4-ethoxy-2-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03379047
Property Insights of BAS 03379047
The XLogP value of 3.67682 indicates that BAS 03379047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03379047. Following Lipinski's Rule of Five, BAS 03379047 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 BAS 03379047?
The CAS number of BAS 03379047 is 431996-79-1.
What is the molecular formula of BAS 03379047?
The molecular formula of BAS 03379047 is C27H31FN2O5.
What is the molecular weight of BAS 03379047?
The molecular weight of BAS 03379047 is 482.22 g/mol.
Where can I buy BAS 03379047?
You can request a quote for BAS 03379047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03379047?
Yes, KEHONG BIO provides custom synthesis services for BAS 03379047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.