N-(cyanomethyl)-N-methylcarbamoylchloride
TL;DR: N-(cyanomethyl)-N-methylcarbamoylchloride (CAS 5524-30-1) is a chemical compound with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile
Also Known As: N-(cyanomethyl)-N-methylcarbamoylchloride, 2-(5-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]acrylonitrile, (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile, (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidino-phenyl)acrylonitrile, (2Z)-2-(6-Methyl-1H-1,3-benzimidazol-2-yl)-3-[3-nitro-4-(piperidin-1-yl)phenyl]prop-2-enenitrile
| Molecular Formula | C22H21N5O2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 4.834 |
| Topological Polar Surface Area | 98.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16953 |
| Heavy Atoms | 29 |
| Complexity | 1149.7092 |
Chemical Identifiers
| CAS Number | 5524-30-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C#N |
Product Overview
N-(cyanomethyl)-N-methylcarbamoylchloride (CAS 5524-30-1), with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol. IUPAC: (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of N-(cyanomethyl)-N-methylcarbamoylchloride
Property Insights of N-(cyanomethyl)-N-methylcarbamoylchloride
The XLogP value of 4.834 indicates that N-(cyanomethyl)-N-methylcarbamoylchloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-N-methylcarbamoylchloride. Following Lipinski's Rule of Five, N-(cyanomethyl)-N-methylcarbamoylchloride has 1 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-(cyanomethyl)-N-methylcarbamoylchloride?
The CAS number of N-(cyanomethyl)-N-methylcarbamoylchloride is 5524-30-1.
What is the molecular formula of N-(cyanomethyl)-N-methylcarbamoylchloride?
The molecular formula of N-(cyanomethyl)-N-methylcarbamoylchloride is C22H21N5O2.
What is the molecular weight of N-(cyanomethyl)-N-methylcarbamoylchloride?
The molecular weight of N-(cyanomethyl)-N-methylcarbamoylchloride is 387.17 g/mol.
Where can I buy N-(cyanomethyl)-N-methylcarbamoylchloride?
You can request a quote for N-(cyanomethyl)-N-methylcarbamoylchloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)-N-methylcarbamoylchloride?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-N-methylcarbamoylchloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.