ChemDiv1_005142
TL;DR: ChemDiv1_005142 (CAS 326907-77-1) is a chemical compound with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005142, BAS 03353123, F0885-0033, AF-399/15600014, 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-oxopropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C27H25N3O5 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 2.899 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1794 |
| Heavy Atoms | 35 |
| Complexity | 1295.1462 |
Chemical Identifiers
| CAS Number | 326907-77-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_005142 (CAS 326907-77-1), with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol. IUPAC: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005142
Property Insights of ChemDiv1_005142
The XLogP value of 2.899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005142. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005142. Following Lipinski's Rule of Five, ChemDiv1_005142 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 ChemDiv1_005142?
The CAS number of ChemDiv1_005142 is 326907-77-1.
What is the molecular formula of ChemDiv1_005142?
The molecular formula of ChemDiv1_005142 is C27H25N3O5.
What is the molecular weight of ChemDiv1_005142?
The molecular weight of ChemDiv1_005142 is 471.18 g/mol.
Where can I buy ChemDiv1_005142?
You can request a quote for ChemDiv1_005142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005142?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.