ChemDiv1_010509
TL;DR: ChemDiv1_010509 (CAS 459147-45-6) is a chemical compound with molecular formula C29H33N3O5 and molecular weight 503.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: ChemDiv1_010509, 2-{1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}hexahydro-1H-isoindole-1,3(2H)-dione, 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-(1-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione, 2-(1-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-1-OXO-3-PHENYLPROPAN-2-YL)-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C29H33N3O5 |
|---|---|
| Molecular Weight | 503.24 g/mol |
| LogP | 2.846 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.24203 |
| Heavy Atoms | 37 |
| Complexity | 1153.3195 |
Chemical Identifiers
| CAS Number | 459147-45-6 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
ChemDiv1_010509 (CAS 459147-45-6), with molecular formula C29H33N3O5 and molecular weight 503.24 g/mol. IUPAC: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_010509
Property Insights of ChemDiv1_010509
The XLogP value of 2.846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010509. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010509. Following Lipinski's Rule of Five, ChemDiv1_010509 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 ChemDiv1_010509?
The CAS number of ChemDiv1_010509 is 459147-45-6.
What is the molecular formula of ChemDiv1_010509?
The molecular formula of ChemDiv1_010509 is C29H33N3O5.
What is the molecular weight of ChemDiv1_010509?
The molecular weight of ChemDiv1_010509 is 503.24 g/mol.
Where can I buy ChemDiv1_010509?
You can request a quote for ChemDiv1_010509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010509?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.