N,N-bis(cyanomethyl)-3-iodobenzamide
TL;DR: N,N-bis(cyanomethyl)-3-iodobenzamide (CAS 333441-61-5) is a chemical compound with molecular formula C11H8IN3O and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-3-iodobenzamide
Also Known As: N,N-bis(cyanomethyl)-3-iodobenzamide, N,N-Bis-cyanomethyl-3-iodo-benzamide, BAS 01935389, N,N-bis(cyanomethyl)(3-iodophenyl)carboxamide
| Molecular Formula | C11H8IN3O |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | 1.78056 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.97122 |
| Heavy Atoms | 16 |
| Complexity | 456.8534 |
Chemical Identifiers
| CAS Number | 333441-61-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C(=O)N(CC#N)CC#N |
Product Overview
N,N-bis(cyanomethyl)-3-iodobenzamide (CAS 333441-61-5), with molecular formula C11H8IN3O and molecular weight 324.97 g/mol. IUPAC: N,N-bis(cyanomethyl)-3-iodobenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-3-iodobenzamide
Property Insights of N,N-bis(cyanomethyl)-3-iodobenzamide
The XLogP value of 1.78056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-3-iodobenzamide. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-3-iodobenzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-3-iodobenzamide has 0 hydrogen bond donor(s) and 3 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,N-bis(cyanomethyl)-3-iodobenzamide?
The CAS number of N,N-bis(cyanomethyl)-3-iodobenzamide is 333441-61-5.
What is the molecular formula of N,N-bis(cyanomethyl)-3-iodobenzamide?
The molecular formula of N,N-bis(cyanomethyl)-3-iodobenzamide is C11H8IN3O.
What is the molecular weight of N,N-bis(cyanomethyl)-3-iodobenzamide?
The molecular weight of N,N-bis(cyanomethyl)-3-iodobenzamide is 324.97 g/mol.
Where can I buy N,N-bis(cyanomethyl)-3-iodobenzamide?
You can request a quote for N,N-bis(cyanomethyl)-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(cyanomethyl)-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.