ChemDiv1_008110
TL;DR: ChemDiv1_008110 (CAS 6238-10-4) is a chemical compound with molecular formula C19H16N2O9 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-[2-(3-nitrophenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl] acetate
Also Known As: ChemDiv1_008110, MixCom6_002415, DivK1c_002750, CDS1_001710, BIM-0047561.P001
| Molecular Formula | C19H16N2O9 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 0.8601 |
| Topological Polar Surface Area | 142.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08557 |
| Heavy Atoms | 30 |
| Complexity | 1003.0124 |
Chemical Identifiers
| CAS Number | 6238-10-4 |
|---|---|
| SMILES | CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(=O)C |
Product Overview
ChemDiv1_008110 (CAS 6238-10-4), with molecular formula C19H16N2O9 and molecular weight 416.09 g/mol. IUPAC: [acetyloxy-[2-(3-nitrophenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl] acetate.
Chemical Property Profile of ChemDiv1_008110
Property Insights of ChemDiv1_008110
The XLogP value of 0.8601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008110. The TPSA of 142.35 Ų indicates high polarity, suggesting ChemDiv1_008110 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_008110 has 0 hydrogen bond donor(s) and 9 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_008110?
The CAS number of ChemDiv1_008110 is 6238-10-4.
What is the molecular formula of ChemDiv1_008110?
The molecular formula of ChemDiv1_008110 is C19H16N2O9.
What is the molecular weight of ChemDiv1_008110?
The molecular weight of ChemDiv1_008110 is 416.09 g/mol.
Where can I buy ChemDiv1_008110?
You can request a quote for ChemDiv1_008110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.