N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine
TL;DR: N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine (CAS 7469-49-0) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[3-(butoxycarbonylamino)-4-methylphenyl]carbamate
Also Known As: 2,4-toluenedibutylcarbamate, 2,4-di-(butoxycarbonylamino)-toluene, toluene-2,4-dicarbamic acid dibutyl ester, Dibutyl (4-methyl-1,3-phenylene)biscarbamate, butyl N-[3-(butoxycarbonylamino)-4-methylphenyl]carbamate
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 7469-49-0 |
|---|---|
| SMILES | CCCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCCC |
| InChIKey | KOBZWUMLQLKNMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine (CAS 7469-49-0), with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol. IUPAC: butyl N-[3-(butoxycarbonylamino)-4-methylphenyl]carbamate.
Chemical Property Profile of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine
Property Insights of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine
The XLogP value of 3.9 indicates that N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine. Following Lipinski's Rule of Five, N,N'-Bis(Butoxycarbonyl)-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(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine?
The CAS number of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine is 7469-49-0.
What is the molecular formula of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine?
The molecular formula of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine is C17H26N2O4.
What is the molecular weight of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine?
The molecular weight of N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine is 322.19 g/mol.
Where can I buy N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine?
You can request a quote for N,N'-Bis(Butoxycarbonyl)-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(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(Butoxycarbonyl)-4-methyl-1,3-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.