BAS 00702857
TL;DR: BAS 00702857 (CAS 331966-55-3) is a chemical compound with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzhydrylpiperazin-1-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
Also Known As: BAS 00702857, 3-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dimethoxyphenethyl)pyrrolidine-2,5-dione, 3-(4-benzhydrylpiperazin-1-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(diphenylmethyl)piperazin-1-yl]pyrrolidine-2,5-dione
| Molecular Formula | C31H35N3O4 |
|---|---|
| Molecular Weight | 513.26 g/mol |
| LogP | 3.781 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.26276 |
| Heavy Atoms | 38 |
| Complexity | 1202.9941 |
Chemical Identifiers
| CAS Number | 331966-55-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC |
Product Overview
BAS 00702857 (CAS 331966-55-3), with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol. IUPAC: 3-(4-benzhydrylpiperazin-1-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00702857
Property Insights of BAS 00702857
The XLogP value of 3.781 indicates that BAS 00702857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702857. Following Lipinski's Rule of Five, BAS 00702857 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00702857?
The CAS number of BAS 00702857 is 331966-55-3.
What is the molecular formula of BAS 00702857?
The molecular formula of BAS 00702857 is C31H35N3O4.
What is the molecular weight of BAS 00702857?
The molecular weight of BAS 00702857 is 513.26 g/mol.
Where can I buy BAS 00702857?
You can request a quote for BAS 00702857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702857?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.