RefChem:178277
TL;DR: RefChem:178277 (CAS 34276-89-6) is a chemical compound with molecular formula C23H24N2O3SSe and molecular weight 488.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate
Also Known As: 4-nitro-L-phenylalanine ethyl ester, 1-Ethyl-2-((3-(4-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)quinolinium, inner salt, 1-Ethyl-2-[[3-(4-sulfobutyl)-2(3H)-benzoselenazolylidene]methyl]quinolinium, inner salt, 1-ethyl-2-[[3-2-benzoselenazolinylidene]methyl]quinolinium, Quinolinium, 1-ethyl-2-((3-(4-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-, inner salt
| Molecular Formula | C23H24N2O3SSe |
|---|---|
| Molecular Weight | 488.07 g/mol |
| LogP | 2.62 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0673 |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 34276-89-6 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4[Se]3)CCCCS(=O)(=O)[O-] |
| InChIKey | AKPSQBFCZQWVKQ-UHFFFAOYSA-N |
Product Overview
RefChem:178277 (CAS 34276-89-6), with molecular formula C23H24N2O3SSe and molecular weight 488.07 g/mol. IUPAC: 4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate.
Chemical Property Profile of RefChem:178277
Property Insights of RefChem:178277
The XLogP value of 2.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:178277. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178277. Following Lipinski's Rule of Five, RefChem:178277 has 0 hydrogen bond donor(s) and 4 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 RefChem:178277?
The CAS number of RefChem:178277 is 34276-89-6.
What is the molecular formula of RefChem:178277?
The molecular formula of RefChem:178277 is C23H24N2O3SSe.
What is the molecular weight of RefChem:178277?
The molecular weight of RefChem:178277 is 488.07 g/mol.
Where can I buy RefChem:178277?
You can request a quote for RefChem:178277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178277?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.