N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide
TL;DR: N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide (CAS 333347-26-5) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide
Also Known As: N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide, BAS 00783821, N,N-Bis-cyanomethyl-2,4-dimethoxy-benzamide, (2,4-dimethoxyphenyl)-N,N-bis(cyanomethyl)carboxamide
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 333347-26-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)N(CC#N)CC#N)OC |
| InChIKey | AFCAWRTVNIPQBH-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide (CAS 333347-26-5), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide
Property Insights of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide has 0 hydrogen bond donor(s) and 5 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)-2,4-dimethoxybenzamide?
The CAS number of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide is 333347-26-5.
What is the molecular formula of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide?
The molecular formula of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide is C13H13N3O3.
What is the molecular weight of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide?
The molecular weight of N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide is 259.10 g/mol.
Where can I buy N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide?
You can request a quote for N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide 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)-2,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-2,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.