N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine
TL;DR: N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine (CAS 42592-07-4) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[2-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
Also Known As: phenylethynyldimethylchlorosilane, diisopropyl toluene-2,4-dicarbamate, propan-2-ylN-[2-methyl-5- phenyl]carbamate, dipropan-2-yl(4-methylbenzene-1,3-diyl)biscarbamate, Diisopropyl N,N'-(4-methyl-m-phenylene)dicarbamate
| Molecular Formula | C15H22N2O4 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.15796 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 42592-07-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC(C)C)NC(=O)OC(C)C |
| InChIKey | SRHAONPLNDTLMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine (CAS 42592-07-4), with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol. IUPAC: propan-2-yl N-[2-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine
Property Insights of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine. Following Lipinski's Rule of Five, N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine 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,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine?
The CAS number of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine is 42592-07-4.
What is the molecular formula of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine?
The molecular formula of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine is C15H22N2O4.
What is the molecular weight of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine?
The molecular weight of N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine is 294.16 g/mol.
Where can I buy N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine?
You can request a quote for N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(isopropoxycarbonyl)-4-methyl-1,3-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.