6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate
TL;DR: 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate (CAS 38934-86-0) is a chemical compound with molecular formula C18H19N3O6 and molecular weight 373.13 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-phenylcarbamate
Also Known As: 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate, (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-phenylcarbamate, (3-methyl-2,4-dinitro-6-tert-butyl-phenyl) N-phenylcarbamate
| Molecular Formula | C18H19N3O6 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.12738 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 38934-86-0 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)NC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | GQFDNLTXTNLQHE-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate (CAS 38934-86-0), with molecular formula C18H19N3O6 and molecular weight 373.13 g/mol. IUPAC: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-phenylcarbamate.
Chemical Property Profile of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate
Property Insights of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate
The XLogP value of 4.8 indicates that 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate 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 phenylcarbamate. Following Lipinski's Rule of Five, 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate has 1 hydrogen bond donor(s) and 6 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 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate?
The CAS number of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate is 38934-86-0.
What is the molecular formula of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate?
The molecular formula of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate is C18H19N3O6.
What is the molecular weight of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate?
The molecular weight of 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate is 373.13 g/mol.
Where can I buy 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate?
You can request a quote for 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate 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 phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-3-methyl-2,4-dinitrophenyl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.