Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate
TL;DR: Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate (CAS 2389-69-7) is a chemical compound with molecular formula C24H22Cl2N2O6 and molecular weight 504.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxybenzene-1,4-dicarboxylate
Also Known As: BAS 00080179, diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate, diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxybenzene-1,4-dicarboxylate, 1,4-Diethyl 2,5-bis[(2-chlorophenyl)amino]-3,6-dihydroxy-1,4-benzenedicarboxylate, 1,4-Benzenedicarboxylic acid, 2,5-bis[(2-chlorophenyl)amino]-3,6-dihydroxy-, 1,4-diethyl ester
| Molecular Formula | C24H22Cl2N2O6 |
|---|---|
| Molecular Weight | 504.09 g/mol |
| LogP | 6.2452 |
| Topological Polar Surface Area | 117.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.08548 |
| Heavy Atoms | 34 |
| Complexity | 1137.0753 |
Chemical Identifiers
| CAS Number | 2389-69-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1O)NC2=CC=CC=C2Cl)C(=O)OCC)O)NC3=CC=CC=C3Cl |
Product Overview
Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate (CAS 2389-69-7), with molecular formula C24H22Cl2N2O6 and molecular weight 504.09 g/mol. IUPAC: diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxybenzene-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate
Property Insights of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate
The XLogP value of 6.2452 indicates that Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate. Following Lipinski's Rule of Five, Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate?
The CAS number of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate is 2389-69-7.
What is the molecular formula of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate?
The molecular formula of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate is C24H22Cl2N2O6.
What is the molecular weight of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate?
The molecular weight of Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate is 504.09 g/mol.
Where can I buy Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate?
You can request a quote for Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-bis(2-chloroanilino)-3,6-dihydroxyterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.