A1871/0078693
TL;DR: A1871/0078693 (CAS 312595-72-5) is a chemical compound with molecular formula C23H12N2O6 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-5-carboxylic acid
Also Known As: A1871/0078693, 1,3-dioxo-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-isoindolinecarboxylic acid, 1,3-dioxo-2-(3-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl)isoindoline-5-carboxylic acid, 1,3-dioxo-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-5-carboxylic acid, 1,3-dioxo-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]isoindoline-5-carboxylic acid
| Molecular Formula | C23H12N2O6 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.3538 |
| Topological Polar Surface Area | 117.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.06955 |
| Heavy Atoms | 31 |
| Complexity | 1487.1797 |
Chemical Identifiers
| CAS Number | 312595-72-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O |
Product Overview
A1871/0078693 (CAS 312595-72-5), with molecular formula C23H12N2O6 and molecular weight 412.07 g/mol. IUPAC: 1,3-dioxo-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-5-carboxylic acid.
Chemical Property Profile of A1871/0078693
Property Insights of A1871/0078693
The XLogP value of 3.3538 indicates that A1871/0078693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.78 Ų falls within the moderate polarity range, balancing permeability and solubility for A1871/0078693. Following Lipinski's Rule of Five, A1871/0078693 has 1 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 A1871/0078693?
The CAS number of A1871/0078693 is 312595-72-5.
What is the molecular formula of A1871/0078693?
The molecular formula of A1871/0078693 is C23H12N2O6.
What is the molecular weight of A1871/0078693?
The molecular weight of A1871/0078693 is 412.07 g/mol.
Where can I buy A1871/0078693?
You can request a quote for A1871/0078693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1871/0078693?
Yes, KEHONG BIO provides custom synthesis services for A1871/0078693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.