BAS 00449592
TL;DR: BAS 00449592 (CAS 314053-85-5) is a chemical compound with molecular formula C24H18FN3O5 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methylphenyl)-3-(4-nitrophenyl)propanamide
Also Known As: BAS 00449592, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-fluoro-2-methylphenyl)-3-{4-nitrophenyl}propanamide, 2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methylphenyl)-3-(4-nitrophenyl)propanamide, 2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-N-(5-FLUORO-2-METHYLPHENYL)-3-(4-NITROPHENYL)PROPANAMIDE
| Molecular Formula | C24H18FN3O5 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 3.88832 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.12305 |
| Heavy Atoms | 33 |
| Complexity | 1254.5121 |
Chemical Identifiers
| CAS Number | 314053-85-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
BAS 00449592 (CAS 314053-85-5), with molecular formula C24H18FN3O5 and molecular weight 447.12 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methylphenyl)-3-(4-nitrophenyl)propanamide.
Chemical Property Profile of BAS 00449592
Property Insights of BAS 00449592
The XLogP value of 3.88832 indicates that BAS 00449592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00449592. Following Lipinski's Rule of Five, BAS 00449592 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 00449592?
The CAS number of BAS 00449592 is 314053-85-5.
What is the molecular formula of BAS 00449592?
The molecular formula of BAS 00449592 is C24H18FN3O5.
What is the molecular weight of BAS 00449592?
The molecular weight of BAS 00449592 is 447.12 g/mol.
Where can I buy BAS 00449592?
You can request a quote for BAS 00449592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00449592?
Yes, KEHONG BIO provides custom synthesis services for BAS 00449592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.