靛红酸酐
TL;DR: 靛红酸酐 (CAS 118-48-9) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
靛红酸酐
1H-3,1-benzoxazine-2,4-dione
Also Known As: Isatoic anhydride, 1H-Benzo[d][1,3]oxazine-2,4-dione, 2H-3,1-Benzoxazine-2,4(1H)-dione, ISATOIC ACID ANHYDRIDE, Benzoxazinedione
| Molecular Formula | C8H5NO3 |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.02695 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
| Melting Point | 243 °C WITH DECOMPOSITION |
| Solubility | MISCIBLE IN WATER, HOT ALC, AND ACETONE; INSOL IN ETHER, BENZENE, AND CHLOROFORM |
Chemical Identifiers
| CAS Number | 118-48-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=O)N2 |
| InChIKey | TXJUTRJFNRYTHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
靛红酸酐 (CAS 118-48-9), with molecular formula C8H5NO3 and molecular weight 163.03 g/mol. IUPAC: 1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 靛红酸酐
Property Insights of 靛红酸酐
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 靛红酸酐. With a topological polar surface area (TPSA) of 55.4 Ų, 靛红酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 靛红酸酐 has 1 hydrogen bond donor(s) and 3 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 靛红酸酐?
The CAS number of 靛红酸酐 is 118-48-9.
What is the molecular formula of 靛红酸酐?
The molecular formula of 靛红酸酐 is C8H5NO3.
What is the molecular weight of 靛红酸酐?
The molecular weight of 靛红酸酐 is 163.03 g/mol.
Where can I buy 靛红酸酐?
You can request a quote for 靛红酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 靛红酸酐?
Yes, KEHONG BIO provides custom synthesis services for 靛红酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.