BAS 00417516
TL;DR: BAS 00417516 (CAS 299949-50-1) is a chemical compound with molecular formula C23H25N3O5 and molecular weight 423.18 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-(2-methoxyphenyl)pyrrolidine-2,5-dione
Also Known As: BAS 00417516, BIM-0016719.P001, AB00079649-01, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione, A0847/0039687
| Molecular Formula | C23H25N3O5 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 1.8736 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1794 |
| Heavy Atoms | 31 |
| Complexity | 1002.4565 |
Chemical Identifiers
| CAS Number | 299949-50-1 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 00417516 (CAS 299949-50-1), with molecular formula C23H25N3O5 and molecular weight 423.18 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00417516
Property Insights of BAS 00417516
The XLogP value of 1.8736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00417516. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417516. Following Lipinski's Rule of Five, BAS 00417516 has 0 hydrogen bond donor(s) and 7 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 00417516?
The CAS number of BAS 00417516 is 299949-50-1.
What is the molecular formula of BAS 00417516?
The molecular formula of BAS 00417516 is C23H25N3O5.
What is the molecular weight of BAS 00417516?
The molecular weight of BAS 00417516 is 423.18 g/mol.
Where can I buy BAS 00417516?
You can request a quote for BAS 00417516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417516?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.