2,4-dimethyl-1-(1-phenylethyl)benzene
TL;DR: 2,4-dimethyl-1-(1-phenylethyl)benzene (CAS 6949-68-4) is a chemical compound with molecular formula C48H53ClN2O7 and molecular weight 804.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine
Also Known As: 2,4-dimethyl-1-(1-phenylethyl)benzene, 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid)- n,n-dibutyl-n'-[(4-chlorophenyl)(4-methoxyphenyl)methyl]propane-1,3-diamine(1:1), 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine, 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine
| Molecular Formula | C48H53ClN2O7 |
|---|---|
| Molecular Weight | 804.35 g/mol |
| LogP | 10.7113 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 804.3541 |
| Heavy Atoms | 58 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 6949-68-4 |
|---|---|
| SMILES | CCCCN(CCCC)CCCNC(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O |
| InChIKey | UERABDCWDCKJOZ-UHFFFAOYSA-N |
Product Overview
2,4-dimethyl-1-(1-phenylethyl)benzene (CAS 6949-68-4), with molecular formula C48H53ClN2O7 and molecular weight 804.35 g/mol. IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N',N'-dibutyl-N-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]propane-1,3-diamine.
Chemical Property Profile of 2,4-dimethyl-1-(1-phenylethyl)benzene
Property Insights of 2,4-dimethyl-1-(1-phenylethyl)benzene
The XLogP value of 10.7113 indicates that 2,4-dimethyl-1-(1-phenylethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 2,4-dimethyl-1-(1-phenylethyl)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-dimethyl-1-(1-phenylethyl)benzene has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-dimethyl-1-(1-phenylethyl)benzene?
The CAS number of 2,4-dimethyl-1-(1-phenylethyl)benzene is 6949-68-4.
What is the molecular formula of 2,4-dimethyl-1-(1-phenylethyl)benzene?
The molecular formula of 2,4-dimethyl-1-(1-phenylethyl)benzene is C48H53ClN2O7.
What is the molecular weight of 2,4-dimethyl-1-(1-phenylethyl)benzene?
The molecular weight of 2,4-dimethyl-1-(1-phenylethyl)benzene is 804.35 g/mol.
Where can I buy 2,4-dimethyl-1-(1-phenylethyl)benzene?
You can request a quote for 2,4-dimethyl-1-(1-phenylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dimethyl-1-(1-phenylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dimethyl-1-(1-phenylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.