![3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) structure](/static/products/2130/21309-05-7.webp)
3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)
TL;DR: 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) (CAS 21309-05-7) is a chemical compound with molecular formula C29H29I2N9O3 and molecular weight 805.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[4-[[2-(diaminomethylidene)hydrazinyl]methylideneamino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;iodide;hydroiodide
Also Known As: 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1), 4-N-[4-[[2-(diaminomethylidene)hydrazinyl]methylideneamino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide iodide hydroiodide
| Molecular Formula | C29H29I2N9O3 |
|---|---|
| Molecular Weight | 805.05 g/mol |
| LogP | 0.3278 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 805.0483 |
| Heavy Atoms | 43 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 21309-05-7 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=CNN=C(N)N.I.[I-] |
| InChIKey | ISFLZQKTZPYCQF-UHFFFAOYSA-N |
Product Overview
3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) (CAS 21309-05-7), with molecular formula C29H29I2N9O3 and molecular weight 805.05 g/mol. IUPAC: 4-N-[4-[[2-(diaminomethylidene)hydrazinyl]methylideneamino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;iodide;hydroiodide.
Chemical Property Profile of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)
Property Insights of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)
The XLogP value of 0.3278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1). The TPSA of 180.0 Ų indicates high polarity, suggesting 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)?
The CAS number of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) is 21309-05-7.
What is the molecular formula of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)?
The molecular formula of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) is C29H29I2N9O3.
What is the molecular weight of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)?
The molecular weight of 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) is 805.05 g/mol.
Where can I buy 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)?
You can request a quote for 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-[(4-{[4-({(e)-[2-(diaminomethylidene)hydrazinyl]methylidene}amino)phenyl]carbamoyl}benzoyl)amino]benzoyl}amino)-1-methylpyridiniumato iodido hydroiodide(1:1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.