RefChem:76489
TL;DR: RefChem:76489 (CAS 91698-30-5) is a chemical compound with molecular formula C23H29N3O8S and molecular weight 507.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid
Also Known As: Calmagite triethanolammonium salt, CALMAGITE TRIETHANOLAMMONIUM, PBCMLMAGITE TRIETHANOLAMMONIUM, 1-(1-Hydroxy-4-methyl-2-phenylazo)-2-naphthol-4-sulfonic acid, 1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-5-methylphenyl)azo)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
| Molecular Formula | C23H29N3O8S |
|---|---|
| Molecular Weight | 507.17 g/mol |
| LogP | 2.48682 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.16754 |
| Heavy Atoms | 35 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 91698-30-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O.C(CO)N(CCO)CCO |
| InChIKey | NOCQPFRKSJKVKW-UHFFFAOYSA-N |
Product Overview
RefChem:76489 (CAS 91698-30-5), with molecular formula C23H29N3O8S and molecular weight 507.17 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of RefChem:76489
Property Insights of RefChem:76489
The XLogP value of 2.48682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:76489. The TPSA of 192.0 Ų indicates high polarity, suggesting RefChem:76489 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:76489 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:76489?
The CAS number of RefChem:76489 is 91698-30-5.
What is the molecular formula of RefChem:76489?
The molecular formula of RefChem:76489 is C23H29N3O8S.
What is the molecular weight of RefChem:76489?
The molecular weight of RefChem:76489 is 507.17 g/mol.
Where can I buy RefChem:76489?
You can request a quote for RefChem:76489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76489?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.