5-Nitrobenzene-1,3-dicarboximidamide
TL;DR: 5-Nitrobenzene-1,3-dicarboximidamide (CAS 785718-07-2) is a chemical compound with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrobenzene-1,3-dicarboximidamide
Also Known As: 5-nitrobenzene-1,3-dicarboximidamide
| Molecular Formula | C8H9N5O2 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 0.16294 |
| Topological Polar Surface Area | 142.88 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.07562 |
| Heavy Atoms | 15 |
| Complexity | 375.33813 |
Chemical Identifiers
| CAS Number | 785718-07-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=N)N)[N+](=O)[O-])C(=N)N |
Product Overview
5-Nitrobenzene-1,3-dicarboximidamide (CAS 785718-07-2), with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol. IUPAC: 5-nitrobenzene-1,3-dicarboximidamide.
Chemical Property Profile of 5-Nitrobenzene-1,3-dicarboximidamide
Property Insights of 5-Nitrobenzene-1,3-dicarboximidamide
The XLogP value of 0.16294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrobenzene-1,3-dicarboximidamide. The TPSA of 142.88 Ų indicates high polarity, suggesting 5-Nitrobenzene-1,3-dicarboximidamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitrobenzene-1,3-dicarboximidamide has 4 hydrogen bond donor(s) and 4 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 5-Nitrobenzene-1,3-dicarboximidamide?
The CAS number of 5-Nitrobenzene-1,3-dicarboximidamide is 785718-07-2.
What is the molecular formula of 5-Nitrobenzene-1,3-dicarboximidamide?
The molecular formula of 5-Nitrobenzene-1,3-dicarboximidamide is C8H9N5O2.
What is the molecular weight of 5-Nitrobenzene-1,3-dicarboximidamide?
The molecular weight of 5-Nitrobenzene-1,3-dicarboximidamide is 207.08 g/mol.
Where can I buy 5-Nitrobenzene-1,3-dicarboximidamide?
You can request a quote for 5-Nitrobenzene-1,3-dicarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrobenzene-1,3-dicarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrobenzene-1,3-dicarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.