BAS 05289095
TL;DR: BAS 05289095 (CAS 510764-01-9) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: BAS 05289095, 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}hexahydro-1H-isoindole-1,3(2H)-dione, 2-(2-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-2-OXOETHYL)-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE, 2-{2-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-oxoethyl}-4,5,6 ,7,3a,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C22H27N3O5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 1.2347 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.19507 |
| Heavy Atoms | 30 |
| Complexity | 840.32904 |
Chemical Identifiers
| CAS Number | 510764-01-9 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 05289095 (CAS 510764-01-9), with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol. IUPAC: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of BAS 05289095
Property Insights of BAS 05289095
The XLogP value of 1.2347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05289095. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05289095. Following Lipinski's Rule of Five, BAS 05289095 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 05289095?
The CAS number of BAS 05289095 is 510764-01-9.
What is the molecular formula of BAS 05289095?
The molecular formula of BAS 05289095 is C22H27N3O5.
What is the molecular weight of BAS 05289095?
The molecular weight of BAS 05289095 is 413.20 g/mol.
Where can I buy BAS 05289095?
You can request a quote for BAS 05289095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05289095?
Yes, KEHONG BIO provides custom synthesis services for BAS 05289095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.