Toluene, diethyl-
TL;DR: Toluene, diethyl- (CAS 25550-13-4) is a chemical compound with molecular formula C55H80 and molecular weight 740.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diethyl-3-methylbenzene;1,2-diethyl-4-methylbenzene;1,3-diethyl-2-methylbenzene;1,3-diethyl-5-methylbenzene;2,4-diethyl-1-methylbenzene
Also Known As: Toluene, diethyl-, DIETHYL TOLUENE, Diethyltoluene (mixed isomers), 1,2-diethyl-3-methylbenzene; 1,2-diethyl-4-methylbenzene; 1,3-diethyl-2-methylbenzene; 1,3-diethyl-5-methylbenzene; 2,4-diethyl-1-methylbenzene, 1,2-Diethyl-3-methylbenzene; 1,2-diethyl-4-methylbenzene;1,3-diethyl-2-methylbenzene; 1,3-diethyl-5-methylbenzene;2,4-diethyl-1-methylbenzene
| Molecular Formula | C55H80 |
|---|---|
| Molecular Weight | 740.63 g/mol |
| LogP | 15.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 10 |
| Exact Mass | 740.626 |
| Heavy Atoms | 55 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 25550-13-4 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)C)CC.CCC1=C(C(=CC=C1)CC)C.CCC1=C(C=C(C=C1)C)CC.CCC1=CC=CC(=C1CC)C.CCC1=CC(=CC(=C1)C)CC |
| InChIKey | QBIOIJSZLZXENV-UHFFFAOYSA-N |
Product Overview
Toluene, diethyl- (CAS 25550-13-4), with molecular formula C55H80 and molecular weight 740.63 g/mol. IUPAC: 1,2-diethyl-3-methylbenzene;1,2-diethyl-4-methylbenzene;1,3-diethyl-2-methylbenzene;1,3-diethyl-5-methylbenzene;2,4-diethyl-1-methylbenzene.
Chemical Property Profile of Toluene, diethyl-
Property Insights of Toluene, diethyl-
The XLogP value of 15.6 indicates that Toluene, diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Toluene, diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene, diethyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toluene, diethyl-?
The CAS number of Toluene, diethyl- is 25550-13-4.
What is the molecular formula of Toluene, diethyl-?
The molecular formula of Toluene, diethyl- is C55H80.
What is the molecular weight of Toluene, diethyl-?
The molecular weight of Toluene, diethyl- is 740.63 g/mol.
Where can I buy Toluene, diethyl-?
You can request a quote for Toluene, diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene, diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Toluene, diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.