1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)
TL;DR: 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) (CAS 50930-79-5) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;phthalic acid
Also Known As: ANILINE HYDROGEN PHTHALATE, Aniline Phthalate, aniline;phthalic acid, aniline; phthalic acid, Phthalic acid Aniline salt
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.3518 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 50930-79-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | QGPZXNSBZMHHSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) (CAS 50930-79-5), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: aniline;phthalic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)
Property Insights of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)
The XLogP value of 2.3518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1). The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1). Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) has 3 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 benzenamine (1:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) is 50930-79-5.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) is C14H13NO4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) is 259.08 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, compd. with benzenamine (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 benzenamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.