N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide
TL;DR: N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide (CAS 1049978-76-8) is a chemical compound with molecular formula C9H12IN5 and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-(5-iodo-2-methylphenyl)guanidine
Also Known As: N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide, 1-(diaminomethylidene)-2-(5-iodo-2-methyl-phenyl)guanidine, 1-(diaminomethylidene)-2-(5-iodo-2-methylphenyl)guanidine, (1E)-N''-(5-Iodo-2-methylphenyl)imidodicarbonimidic diamide, (1E)-Na(2)a(2)-(5-Iodo-2-methylphenyl)imidodicarbonimidic diamide
| Molecular Formula | C9H12IN5 |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 0.81922 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.01373 |
| Heavy Atoms | 15 |
| Complexity | 420.51093 |
Chemical Identifiers
| CAS Number | 1049978-76-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)I)N=C(N)N=C(N)N |
Product Overview
N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide (CAS 1049978-76-8), with molecular formula C9H12IN5 and molecular weight 317.01 g/mol. IUPAC: 1-(diaminomethylidene)-2-(5-iodo-2-methylphenyl)guanidine.
Chemical Property Profile of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide
Property Insights of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide
The XLogP value of 0.81922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide. Following Lipinski's Rule of Five, N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide has 3 hydrogen bond donor(s) and 1 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-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide?
The CAS number of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide is 1049978-76-8.
What is the molecular formula of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide?
The molecular formula of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide is C9H12IN5.
What is the molecular weight of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide?
The molecular weight of N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide is 317.01 g/mol.
Where can I buy N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide?
You can request a quote for N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Iodo-2-methylphenyl)triimidodicarbonic diamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.