N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide
TL;DR: N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide (CAS 362602-00-4) is a chemical compound with molecular formula C12H11IN6O3 and molecular weight 413.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
Also Known As: N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide, 2-iodo-N'-[(2E)-1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]benzohydrazide, 2-iodo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
| Molecular Formula | C12H11IN6O3 |
|---|---|
| Molecular Weight | 413.99 g/mol |
| LogP | 1.5968 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.99374 |
| Heavy Atoms | 22 |
| Complexity | 741.9678 |
Chemical Identifiers
| CAS Number | 362602-00-4 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=CC=CC=C1I)/CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide (CAS 362602-00-4), with molecular formula C12H11IN6O3 and molecular weight 413.99 g/mol. IUPAC: 2-iodo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide.
Chemical Property Profile of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide
Property Insights of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide
The XLogP value of 1.5968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide. Following Lipinski's Rule of Five, N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide has 1 hydrogen bond donor(s) and 6 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 N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide?
The CAS number of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide is 362602-00-4.
What is the molecular formula of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide?
The molecular formula of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide is C12H11IN6O3.
What is the molecular weight of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide?
The molecular weight of N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide is 413.99 g/mol.
Where can I buy N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide?
You can request a quote for N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-2-iodobenzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.