2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-
TL;DR: 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- (CAS 23612-31-9) is a chemical compound with molecular formula C8H4N2O4S and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitro-2-sulfanylidene-1,3-benzoxazin-4-one
Also Known As: 8-Nitro-dihydro-1,3-benzoxazine-2-thione-4-one, 5-Ethoxy-1H-pyrrolo[3,2-b]pyridine, 8-Nitro-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione, 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-, 8-nitro-2-sulfanylidene-1,3-benzoxazin-4-one
| Molecular Formula | C8H4N2O4S |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 1.75879 |
| Topological Polar Surface Area | 89.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.98918 |
| Heavy Atoms | 15 |
| Complexity | 657.4746 |
Chemical Identifiers
| CAS Number | 23612-31-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=S)NC2=O |
Product Overview
2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- (CAS 23612-31-9), with molecular formula C8H4N2O4S and molecular weight 223.99 g/mol. IUPAC: 8-nitro-2-sulfanylidene-1,3-benzoxazin-4-one.
Chemical Property Profile of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-
Property Insights of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-
The XLogP value of 1.75879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-. The TPSA of 89.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-. Following Lipinski's Rule of Five, 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- has 1 hydrogen bond donor(s) and 5 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 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-?
The CAS number of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- is 23612-31-9.
What is the molecular formula of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-?
The molecular formula of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- is C8H4N2O4S.
What is the molecular weight of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-?
The molecular weight of 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- is 223.99 g/mol.
Where can I buy 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-?
You can request a quote for 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Benzoxazine-2,4(3H)-dione, 8-nitro-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.