RefChem:269878
TL;DR: RefChem:269878 (CAS 63992-37-0) is a chemical compound with molecular formula C26H39ClN4O4 and molecular weight 506.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-amino-3-[2-amino-5-[2-(diethylamino)ethoxycarbonyl]phenyl]benzoyl]oxyethyl-diethylazanium chloride
Also Known As: Di-(beta-diethylaminoethyl)-2,2'-diamino-5,5'-biphenylcarboxylate hydrochloride, 3,3'-Biphenyldicarboxylic acid, 6,6'-diamino-, bis-(2-diethylaminoethyl) ester, hydrochloride, 2-[4-amino-3-[2-amino-5-(2-diethylaminoethyloxycarbonyl)phenyl]benzoyl]oxyethyl-diethylazanium chloride, [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 6,6'-diamino-, bis[2-(diethylamino)ethyl] ester, dihydrochloride, RefChem:269878
| Molecular Formula | C26H39ClN4O4 |
|---|---|
| Molecular Weight | 506.27 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 506.266 |
| Heavy Atoms | 35 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 63992-37-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)N)C2=C(C=CC(=C2)C(=O)OCCN(CC)CC)N.[Cl-] |
| InChIKey | FBUQNJJEIGYAFR-UHFFFAOYSA-N |
Product Overview
RefChem:269878 (CAS 63992-37-0), with molecular formula C26H39ClN4O4 and molecular weight 506.27 g/mol. IUPAC: 2-[4-amino-3-[2-amino-5-[2-(diethylamino)ethoxycarbonyl]phenyl]benzoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:269878
Property Insights of RefChem:269878
The XLogP value of -0.9 indicates that RefChem:269878 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:269878. Following Lipinski's Rule of Five, RefChem:269878 has 3 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 RefChem:269878?
The CAS number of RefChem:269878 is 63992-37-0.
What is the molecular formula of RefChem:269878?
The molecular formula of RefChem:269878 is C26H39ClN4O4.
What is the molecular weight of RefChem:269878?
The molecular weight of RefChem:269878 is 506.27 g/mol.
Where can I buy RefChem:269878?
You can request a quote for RefChem:269878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.