BAS 00702854
TL;DR: BAS 00702854 (CAS 313378-60-8) is a chemical compound with molecular formula C24H28N4O6 and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00702854, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione, A1404/0062752, 1-(3,4-dimethoxyphenethyl)-3-(4-(4-nitrophenyl)piperazin-1-yl)pyrrolidine-2,5-dione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-{4-nitrophenyl}-1-piperazinyl)-2,5-pyrrolidinedione
| Molecular Formula | C24H28N4O6 |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 2.1042 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.2009 |
| Heavy Atoms | 34 |
| Complexity | 1065.6329 |
Chemical Identifiers
| CAS Number | 313378-60-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
BAS 00702854 (CAS 313378-60-8), with molecular formula C24H28N4O6 and molecular weight 468.20 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00702854
Property Insights of BAS 00702854
The XLogP value of 2.1042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00702854. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702854. Following Lipinski's Rule of Five, BAS 00702854 has 0 hydrogen bond donor(s) and 8 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 00702854?
The CAS number of BAS 00702854 is 313378-60-8.
What is the molecular formula of BAS 00702854?
The molecular formula of BAS 00702854 is C24H28N4O6.
What is the molecular weight of BAS 00702854?
The molecular weight of BAS 00702854 is 468.20 g/mol.
Where can I buy BAS 00702854?
You can request a quote for BAS 00702854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702854?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.