N,N-bis(cyanomethyl)-3-methoxybenzamide
TL;DR: N,N-bis(cyanomethyl)-3-methoxybenzamide (CAS 333349-83-0) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-3-methoxybenzamide
Also Known As: N,N-bis(cyanomethyl)-3-methoxybenzamide, BAS 00784941, N,N-Bis-cyanomethyl-3-methoxy-benzamide, N,N-bis(cyanomethyl)(3-methoxyphenyl)carboxamide, Cambridge id 5653778
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 333349-83-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)N(CC#N)CC#N |
| InChIKey | YGSOMHYUFIKQHN-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-3-methoxybenzamide (CAS 333349-83-0), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: N,N-bis(cyanomethyl)-3-methoxybenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-3-methoxybenzamide
Property Insights of N,N-bis(cyanomethyl)-3-methoxybenzamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-3-methoxybenzamide. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-3-methoxybenzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-3-methoxybenzamide has 0 hydrogen bond donor(s) and 4 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-methoxybenzamide?
The CAS number of N,N-bis(cyanomethyl)-3-methoxybenzamide is 333349-83-0.
What is the molecular formula of N,N-bis(cyanomethyl)-3-methoxybenzamide?
The molecular formula of N,N-bis(cyanomethyl)-3-methoxybenzamide is C12H11N3O2.
What is the molecular weight of N,N-bis(cyanomethyl)-3-methoxybenzamide?
The molecular weight of N,N-bis(cyanomethyl)-3-methoxybenzamide is 229.09 g/mol.
Where can I buy N,N-bis(cyanomethyl)-3-methoxybenzamide?
You can request a quote for N,N-bis(cyanomethyl)-3-methoxybenzamide 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-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.