1,3-Diamino-2,4-diethyl-6-methylbenzene
TL;DR: 1,3-Diamino-2,4-diethyl-6-methylbenzene (CAS 2095-02-5) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diethyl-6-methylbenzene-1,3-diamine
Also Known As: Diethyltoluenediamine, 2,4-diethyl-6-methylbenzene-1,3-diamine, Detda, 2,4-Diamino-3,5-diethyltoluene, 1,3-Benzenediamine, 2,4-diethyl-6-methyl-
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 2095-02-5 |
|---|---|
| SMILES | CCC1=C(C(=C(C(=C1)C)N)CC)N |
| InChIKey | PISLZQACAJMAIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diamino-2,4-diethyl-6-methylbenzene (CAS 2095-02-5), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 2,4-diethyl-6-methylbenzene-1,3-diamine.
Chemical Property Profile of 1,3-Diamino-2,4-diethyl-6-methylbenzene
Property Insights of 1,3-Diamino-2,4-diethyl-6-methylbenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diamino-2,4-diethyl-6-methylbenzene. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Diamino-2,4-diethyl-6-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diamino-2,4-diethyl-6-methylbenzene 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 1,3-Diamino-2,4-diethyl-6-methylbenzene?
The CAS number of 1,3-Diamino-2,4-diethyl-6-methylbenzene is 2095-02-5.
What is the molecular formula of 1,3-Diamino-2,4-diethyl-6-methylbenzene?
The molecular formula of 1,3-Diamino-2,4-diethyl-6-methylbenzene is C11H18N2.
What is the molecular weight of 1,3-Diamino-2,4-diethyl-6-methylbenzene?
The molecular weight of 1,3-Diamino-2,4-diethyl-6-methylbenzene is 178.15 g/mol.
Where can I buy 1,3-Diamino-2,4-diethyl-6-methylbenzene?
You can request a quote for 1,3-Diamino-2,4-diethyl-6-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diamino-2,4-diethyl-6-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diamino-2,4-diethyl-6-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.