1,4-Benzenedicarboxylic acid,2-sulfo
TL;DR: 1,4-Benzenedicarboxylic acid,2-sulfo (CAS 499105-03-2) is a chemical compound with molecular formula C26H27N3O5 and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
Also Known As: 1,4-Benzenedicarboxylic acid,2-sulfo, BAS 01024383, 2-[(4-Methoxybenzoyl)amino]-N-{1-[(2-methoxyphenyl)amino]-1-oxo-2-butanyl}benzamide, BENZAMIDE, 2-[(4-METHOXYBENZOYL)AMINO]-N-[1-[[(2-METHOXYPHENYL)AMINO]CARBONYL]PROPYL]-, N-[1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
| Molecular Formula | C26H27N3O5 |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 4.1032 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.19507 |
| Heavy Atoms | 34 |
| Complexity | 1161.1075 |
Chemical Identifiers
| CAS Number | 499105-03-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC=C1OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC |
Product Overview
1,4-Benzenedicarboxylic acid,2-sulfo (CAS 499105-03-2), with molecular formula C26H27N3O5 and molecular weight 461.20 g/mol. IUPAC: N-[1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid,2-sulfo
Property Insights of 1,4-Benzenedicarboxylic acid,2-sulfo
The XLogP value of 4.1032 indicates that 1,4-Benzenedicarboxylic acid,2-sulfo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid,2-sulfo. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid,2-sulfo 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 1,4-Benzenedicarboxylic acid,2-sulfo?
The CAS number of 1,4-Benzenedicarboxylic acid,2-sulfo is 499105-03-2.
What is the molecular formula of 1,4-Benzenedicarboxylic acid,2-sulfo?
The molecular formula of 1,4-Benzenedicarboxylic acid,2-sulfo is C26H27N3O5.
What is the molecular weight of 1,4-Benzenedicarboxylic acid,2-sulfo?
The molecular weight of 1,4-Benzenedicarboxylic acid,2-sulfo is 461.20 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid,2-sulfo?
You can request a quote for 1,4-Benzenedicarboxylic acid,2-sulfo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid,2-sulfo?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid,2-sulfo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.