C9H12N4O5
TL;DR: C9H12N4O5 (CAS 330982-57-5) is a chemical compound with molecular formula C9H12N4O5 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-hydroxyimino-4-[(2E)-2-hydroxyiminopropyl]-1-oxido-6,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ol
Also Known As: BAS 00318914, (5E)-5-(hydroxyimino)-4-[(2E)-2-(hydroxyimino)propyl]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol 1-oxide, (E)-4-hydroxy-5-(hydroxyimino)-4-((E)-2-(hydroxyimino)propyl)-4,5,6,7-tetrahydrobenzo[c][1,2,5]oxadiazole 1-oxide
| Molecular Formula | C9H12N4O5 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | -0.4878 |
| Topological Polar Surface Area | 138.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.08078 |
| Heavy Atoms | 18 |
| Complexity | 523.0277 |
Chemical Identifiers
| CAS Number | 330982-57-5 |
|---|---|
| SMILES | C/C(=N\O)/CC1(/C(=N/O)/CCC2=[N+](ON=C21)[O-])O |
Product Overview
C9H12N4O5 (CAS 330982-57-5), with molecular formula C9H12N4O5 and molecular weight 256.08 g/mol. IUPAC: (5E)-5-hydroxyimino-4-[(2E)-2-hydroxyiminopropyl]-1-oxido-6,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ol.
Chemical Property Profile of C9H12N4O5
Property Insights of C9H12N4O5
The XLogP value of -0.4878 indicates that C9H12N4O5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.38 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H12N4O5. Following Lipinski's Rule of Five, C9H12N4O5 has 3 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 C9H12N4O5?
The CAS number of C9H12N4O5 is 330982-57-5.
What is the molecular formula of C9H12N4O5?
The molecular formula of C9H12N4O5 is C9H12N4O5.
What is the molecular weight of C9H12N4O5?
The molecular weight of C9H12N4O5 is 256.08 g/mol.
Where can I buy C9H12N4O5?
You can request a quote for C9H12N4O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H12N4O5?
Yes, KEHONG BIO provides custom synthesis services for C9H12N4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.