RefChem:85484
TL;DR: RefChem:85484 (CAS 62707-55-5) is a chemical compound with molecular formula C26H29N3O8S and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Also Known As: 2-Anthraquinonesulfonic acid, 1-amino-4-anilino-, triethanolamine salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 1-Amino-4-(phenylamino)-2-anthraquinonesulfonic acid, triethanolamine salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 1-Amino-4-(phenylamino)-2-anthraquinonesulfonic acid,triethanolamine salt
| Molecular Formula | C26H29N3O8S |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.16754 |
| Heavy Atoms | 38 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 62707-55-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.C(CO)N(CCO)CCO |
| InChIKey | BIKNNKXWJMYFGK-UHFFFAOYSA-N |
Product Overview
RefChem:85484 (CAS 62707-55-5), with molecular formula C26H29N3O8S and molecular weight 543.17 g/mol. IUPAC: 1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of RefChem:85484
Property Insights of RefChem:85484
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:85484. The TPSA of 199.0 Ų indicates high polarity, suggesting RefChem:85484 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85484 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:85484?
The CAS number of RefChem:85484 is 62707-55-5.
What is the molecular formula of RefChem:85484?
The molecular formula of RefChem:85484 is C26H29N3O8S.
What is the molecular weight of RefChem:85484?
The molecular weight of RefChem:85484 is 543.17 g/mol.
Where can I buy RefChem:85484?
You can request a quote for RefChem:85484 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85484?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85484 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.