6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate
TL;DR: 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate (CAS 39030-65-4) is a chemical compound with molecular formula C18H18ClN3O6 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-(4-chlorophenyl)carbamate
Also Known As: 6-tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate, (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-(4-chlorophenyl), (3-methyl-2,4-dinitro-6-tert-butyl-phenyl) N-(4-chlorophenyl)carbamate, (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-(4-chlorophenyl)carbamate
| Molecular Formula | C18H18ClN3O6 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0884 |
| Heavy Atoms | 28 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 39030-65-4 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)NC2=CC=C(C=C2)Cl)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | JOXGSEZGZMOQCI-UHFFFAOYSA-N |
Product Overview
6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate (CAS 39030-65-4), with molecular formula C18H18ClN3O6 and molecular weight 407.09 g/mol. IUPAC: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate
Property Insights of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate
The XLogP value of 5.4 indicates that 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate. Following Lipinski's Rule of Five, 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate 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 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate?
The CAS number of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate is 39030-65-4.
What is the molecular formula of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate?
The molecular formula of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate is C18H18ClN3O6.
What is the molecular weight of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate?
The molecular weight of 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate is 407.09 g/mol.
Where can I buy 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate?
You can request a quote for 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-3-methyl-2,4-dinitrophenyl (4-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.