6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione
TL;DR: 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione (CAS 59405-24-2) is a chemical compound with molecular formula C8H3ClN2O5 and molecular weight 241.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione
Also Known As: 5-Chloro-3-nitroisatoic anhydride, 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione, 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-8-nitro-, 116C123, 6-Chlor-8-nitro-1H-benz[d][1,3]oxazin-2,4-dion
| Molecular Formula | C8H3ClN2O5 |
|---|---|
| Molecular Weight | 241.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.97305 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 59405-24-2 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)OC(=O)N2)[N+](=O)[O-])Cl |
| InChIKey | RVEUSUWWSKGWHC-UHFFFAOYSA-N |
Product Overview
6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione (CAS 59405-24-2), with molecular formula C8H3ClN2O5 and molecular weight 241.97 g/mol. IUPAC: 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione
Property Insights of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione. Following Lipinski's Rule of Five, 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione 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 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione?
The CAS number of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione is 59405-24-2.
What is the molecular formula of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione?
The molecular formula of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione is C8H3ClN2O5.
What is the molecular weight of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione?
The molecular weight of 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione is 241.97 g/mol.
Where can I buy 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione?
You can request a quote for 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.