2,4-Bis(3,3-ethyleneureido)toluene
TL;DR: 2,4-Bis(3,3-ethyleneureido)toluene (CAS 2131-75-1) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(aziridine-1-carbonylamino)-4-methylphenyl]aziridine-1-carboxamide
Also Known As: N,4-diaminotoluene, Olin 53264, 2,4-Tolylenebis(ethyleneurea), ESK 230, 2,4-Bis(3,3-ethyleneureido)toluene
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 2131-75-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)N2CC2)NC(=O)N3CC3 |
| InChIKey | AEZTZOJIMOAEDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Bis(3,3-ethyleneureido)toluene (CAS 2131-75-1), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: N-[3-(aziridine-1-carbonylamino)-4-methylphenyl]aziridine-1-carboxamide.
Chemical Property Profile of 2,4-Bis(3,3-ethyleneureido)toluene
Property Insights of 2,4-Bis(3,3-ethyleneureido)toluene
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis(3,3-ethyleneureido)toluene. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(3,3-ethyleneureido)toluene. Following Lipinski's Rule of Five, 2,4-Bis(3,3-ethyleneureido)toluene has 2 hydrogen bond donor(s) and 2 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 2,4-Bis(3,3-ethyleneureido)toluene?
The CAS number of 2,4-Bis(3,3-ethyleneureido)toluene is 2131-75-1.
What is the molecular formula of 2,4-Bis(3,3-ethyleneureido)toluene?
The molecular formula of 2,4-Bis(3,3-ethyleneureido)toluene is C13H16N4O2.
What is the molecular weight of 2,4-Bis(3,3-ethyleneureido)toluene?
The molecular weight of 2,4-Bis(3,3-ethyleneureido)toluene is 260.13 g/mol.
Where can I buy 2,4-Bis(3,3-ethyleneureido)toluene?
You can request a quote for 2,4-Bis(3,3-ethyleneureido)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(3,3-ethyleneureido)toluene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(3,3-ethyleneureido)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.