ChemDiv1_008198
TL;DR: ChemDiv1_008198 (CAS 433265-12-4) is a chemical compound with molecular formula C21H19NO9 and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-(diacetyloxymethyl)-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]benzoate
Also Known As: ChemDiv1_008198, DivK1c_002838, CDS1_001798, AN-989/40662066, methyl 2-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoate
| Molecular Formula | C21H19NO9 |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 0.7385 |
| Topological Polar Surface Area | 125.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.106 |
| Heavy Atoms | 31 |
| Complexity | 1015.4317 |
Chemical Identifiers
| CAS Number | 433265-12-4 |
|---|---|
| SMILES | CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC=CC=C4C(=O)OC)OC(=O)C |
Product Overview
ChemDiv1_008198 (CAS 433265-12-4), with molecular formula C21H19NO9 and molecular weight 429.11 g/mol. IUPAC: methyl 2-[7-(diacetyloxymethyl)-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]benzoate.
Chemical Property Profile of ChemDiv1_008198
Property Insights of ChemDiv1_008198
The XLogP value of 0.7385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008198. The TPSA of 125.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008198. Following Lipinski's Rule of Five, ChemDiv1_008198 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_008198?
The CAS number of ChemDiv1_008198 is 433265-12-4.
What is the molecular formula of ChemDiv1_008198?
The molecular formula of ChemDiv1_008198 is C21H19NO9.
What is the molecular weight of ChemDiv1_008198?
The molecular weight of ChemDiv1_008198 is 429.11 g/mol.
Where can I buy ChemDiv1_008198?
You can request a quote for ChemDiv1_008198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008198?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.