1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)
TL;DR: 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) (CAS 69847-39-8) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylaniline;phthalic acid
Also Known As: Phthalic acid mono, N,N-diethylalinine salt, Diethylaniline, phthalic acid salt (1:1), N,N-diethylaniline; phthalic acid, Phthalic acid, compound with N,N-diethylaniline (1:1), 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.6158 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 69847-39-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | RJILSGJGSRJKDS-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) (CAS 69847-39-8), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: N,N-diethylaniline;phthalic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)
Property Insights of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)
The XLogP value of 3.6158 indicates that 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1). Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) has 2 hydrogen bond donor(s) and 5 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 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) is 69847-39-8.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) is C18H21NO4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) is 315.15 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, compd. with N,N-diethylbenzenamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.