4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
TL;DR: 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS 53619-53-7) is a chemical compound with molecular formula C13H9N3O6S and molecular weight 335.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 4-(3-methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium, 2,1,3-Benzoxadiazole,4-[(3-methoxyphenyl)sulfinyl]-7-nitro-,3-oxide, 2,1,3-BENZOXADIAZOLE,4-[(3-METHOXYPHENYL)SULFINYL]-7-NITRO-, 3-OXIDE, 7-(3-Methoxybenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
| Molecular Formula | C13H9N3O6S |
|---|---|
| Molecular Weight | 335.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0212 |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 53619-53-7 |
|---|---|
| SMILES | COC1=CC(=CC=C1)S(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | MAWCCVQAHUMTEL-UHFFFAOYSA-N |
Product Overview
4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS 53619-53-7), with molecular formula C13H9N3O6S and molecular weight 335.02 g/mol. IUPAC: 4-(3-methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Property Insights of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium. The TPSA of 143.0 Ų indicates high polarity, suggesting 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium has 0 hydrogen bond donor(s) and 8 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-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium?
The CAS number of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium is 53619-53-7.
What is the molecular formula of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium?
The molecular formula of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium is C13H9N3O6S.
What is the molecular weight of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium?
The molecular weight of 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium is 335.02 g/mol.
Where can I buy 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium?
You can request a quote for 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methoxyphenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.