A2802/0118461
TL;DR: A2802/0118461 (CAS 446029-83-0) is a chemical compound with molecular formula C17H12N2O7 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Also Known As: A2802/0118461, methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate, methyl 3-((1,3-dioxoisoindolin-2-yl)methyl)-4-hydroxy-5-nitrobenzoate, methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate, methyl 5-[(1,3-dioxobenzo[c]azolin-2-yl)methyl]-4-hydroxy-3-nitrobenzoate
| Molecular Formula | C17H12N2O7 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 1.8832 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.06445 |
| Heavy Atoms | 26 |
| Complexity | 932.5789 |
Chemical Identifiers
| CAS Number | 446029-83-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])O)CN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
A2802/0118461 (CAS 446029-83-0), with molecular formula C17H12N2O7 and molecular weight 356.06 g/mol. IUPAC: methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate.
Chemical Property Profile of A2802/0118461
Property Insights of A2802/0118461
The XLogP value of 1.8832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2802/0118461. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A2802/0118461. Following Lipinski's Rule of Five, A2802/0118461 has 1 hydrogen bond donor(s) and 7 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 A2802/0118461?
The CAS number of A2802/0118461 is 446029-83-0.
What is the molecular formula of A2802/0118461?
The molecular formula of A2802/0118461 is C17H12N2O7.
What is the molecular weight of A2802/0118461?
The molecular weight of A2802/0118461 is 356.06 g/mol.
Where can I buy A2802/0118461?
You can request a quote for A2802/0118461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2802/0118461?
Yes, KEHONG BIO provides custom synthesis services for A2802/0118461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.