ChemDiv1_002828
TL;DR: ChemDiv1_002828 (CAS 344956-76-9) is a chemical compound with molecular formula C23H23Cl2N3O5 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[[(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl-(furan-2-ylmethyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: ChemDiv1_002828, BAS 01076839, BIM-0030949.P001, 5-chloro-2-[[(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl-(furan-2-ylmethyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2,2'-(((furan-2-ylmethyl)azanediyl)bis(methylene))bis(5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)
| Molecular Formula | C23H23Cl2N3O5 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 3.032 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.10147 |
| Heavy Atoms | 33 |
| Complexity | 1000.1636 |
Chemical Identifiers
| CAS Number | 344956-76-9 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)N(C2=O)CN(CC3=CC=CO3)CN4C(=O)C5CC=C(CC5C4=O)Cl)Cl |
Product Overview
ChemDiv1_002828 (CAS 344956-76-9), with molecular formula C23H23Cl2N3O5 and molecular weight 491.10 g/mol. IUPAC: 5-chloro-2-[[(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl-(furan-2-ylmethyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_002828
Property Insights of ChemDiv1_002828
The XLogP value of 3.032 indicates that ChemDiv1_002828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002828. Following Lipinski's Rule of Five, ChemDiv1_002828 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_002828?
The CAS number of ChemDiv1_002828 is 344956-76-9.
What is the molecular formula of ChemDiv1_002828?
The molecular formula of ChemDiv1_002828 is C23H23Cl2N3O5.
What is the molecular weight of ChemDiv1_002828?
The molecular weight of ChemDiv1_002828 is 491.10 g/mol.
Where can I buy ChemDiv1_002828?
You can request a quote for ChemDiv1_002828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002828?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.