N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide
TL;DR: N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide (CAS 94166-48-0) is a chemical compound with molecular formula C12H14ClN3O2 and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropanehydrazide
Also Known As: EINECS 303-343-7, N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide, N'-(2-Chloro-4-isocyanatophenyl)pivalohydrazide, N'-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropanehydrazide, N -(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionic acid hydrazide
| Molecular Formula | C12H14ClN3O2 |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 2.7965 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07745 |
| Heavy Atoms | 18 |
| Complexity | 502.53424 |
Chemical Identifiers
| CAS Number | 94166-48-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)NNC1=C(C=C(C=C1)N=C=O)Cl |
Product Overview
N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide (CAS 94166-48-0), with molecular formula C12H14ClN3O2 and molecular weight 267.08 g/mol. IUPAC: N'-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropanehydrazide.
Chemical Property Profile of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide
Property Insights of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide
The XLogP value of 2.7965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide. Following Lipinski's Rule of Five, N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide has 2 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'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide?
The CAS number of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide is 94166-48-0.
What is the molecular formula of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide?
The molecular formula of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide is C12H14ClN3O2.
What is the molecular weight of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide?
The molecular weight of N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide is 267.08 g/mol.
Where can I buy N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide?
You can request a quote for N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.