![1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene structure](/static/products/4780/478048-96-3.webp)
1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene
TL;DR: 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene (CAS 478048-96-3) is a chemical compound with molecular formula C20H22ClN3O5 and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
Also Known As: 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene, [[3,3-dimethyl-1-(4-methyl-2-nitro-phenoxy)butan-2-ylidene]amino] N-(3-chlorophenyl)carbamate, [[3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
| Molecular Formula | C20H22ClN3O5 |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 5.58622 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1248 |
| Heavy Atoms | 29 |
| Complexity | 937.95416 |
Chemical Identifiers
| CAS Number | 478048-96-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=NOC(=O)NC2=CC(=CC=C2)Cl)C(C)(C)C)[N+](=O)[O-] |
Product Overview
1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene (CAS 478048-96-3), with molecular formula C20H22ClN3O5 and molecular weight 419.12 g/mol. IUPAC: [[3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-ylidene]amino] N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene
Property Insights of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene
The XLogP value of 5.58622 indicates that 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene. Following Lipinski's Rule of Five, 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene?
The CAS number of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene is 478048-96-3.
What is the molecular formula of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene?
The molecular formula of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene is C20H22ClN3O5.
What is the molecular weight of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene?
The molecular weight of 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene is 419.12 g/mol.
Where can I buy 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene?
You can request a quote for 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-({[(3-chloroanilino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.