4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate
TL;DR: 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate (CAS 352337-32-7) is a chemical compound with molecular formula C9H4N2O9S and molecular weight 315.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dinitro-2-oxo-1,3-benzoxathiol-5-yl) methyl carbonate
Also Known As: 4,6-bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate, (4,6-dinitro-2-oxo-1,3-benzoxathiol-5-yl) methyl carbonate, 4,6-DINITRO-2-OXO-2H-1,3-BENZOXATHIOL-5-YL METHYL CARBONATE
| Molecular Formula | C9H4N2O9S |
|---|---|
| Molecular Weight | 315.96 g/mol |
| LogP | 1.8161 |
| Topological Polar Surface Area | 152.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.96375 |
| Heavy Atoms | 21 |
| Complexity | 820.468 |
Chemical Identifiers
| CAS Number | 352337-32-7 |
|---|---|
| SMILES | COC(=O)OC1=C(C2=C(C=C1[N+](=O)[O-])OC(=O)S2)[N+](=O)[O-] |
Product Overview
4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate (CAS 352337-32-7), with molecular formula C9H4N2O9S and molecular weight 315.96 g/mol. IUPAC: (4,6-dinitro-2-oxo-1,3-benzoxathiol-5-yl) methyl carbonate.
Chemical Property Profile of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate
Property Insights of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate
The XLogP value of 1.8161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate. The TPSA of 152.02 Ų indicates high polarity, suggesting 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate has 0 hydrogen bond donor(s) and 10 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 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate?
The CAS number of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate is 352337-32-7.
What is the molecular formula of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate?
The molecular formula of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate is C9H4N2O9S.
What is the molecular weight of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate?
The molecular weight of 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate is 315.96 g/mol.
Where can I buy 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate?
You can request a quote for 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bisnitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.