BAS 00485256
TL;DR: BAS 00485256 (CAS 313705-28-1) is a chemical compound with molecular formula C22H22BrN3O4 and molecular weight 471.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione
Also Known As: BAS 00485256, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione, AB00091580-01, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-bromophenyl)-2,5-pyrrolidinedione, 3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione
| Molecular Formula | C22H22BrN3O4 |
|---|---|
| Molecular Weight | 471.08 g/mol |
| LogP | 2.6275 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.07938 |
| Heavy Atoms | 30 |
| Complexity | 972.84796 |
Chemical Identifiers
| CAS Number | 313705-28-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)Br |
Product Overview
BAS 00485256 (CAS 313705-28-1), with molecular formula C22H22BrN3O4 and molecular weight 471.08 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00485256
Property Insights of BAS 00485256
The XLogP value of 2.6275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00485256. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00485256. Following Lipinski's Rule of Five, BAS 00485256 has 0 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 00485256?
The CAS number of BAS 00485256 is 313705-28-1.
What is the molecular formula of BAS 00485256?
The molecular formula of BAS 00485256 is C22H22BrN3O4.
What is the molecular weight of BAS 00485256?
The molecular weight of BAS 00485256 is 471.08 g/mol.
Where can I buy BAS 00485256?
You can request a quote for BAS 00485256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00485256?
Yes, KEHONG BIO provides custom synthesis services for BAS 00485256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.