RefChem:178316
TL;DR: RefChem:178316 (CAS 63815-75-8) is a chemical compound with molecular formula C29H28N2O4SSe and molecular weight 580.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate
Also Known As: 1-Benzyl-6-methoxy-2-((3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene)methyl)quinolinium, 1-benzyl-6-methoxy-2-[[3-(4-sulphonatobutyl)-3h-benzoselenazol-2-ylidene]methyl]quinolinium, 6-Methoxy-1-(phenylmethyl)-2-((3-(4-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)quinolinium hydroxide, inner salt, Quinolinium, 6-methoxy-1-(phenylmethyl)-2-((3-(4-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-, hydroxide, inner salt, Quinolinium, 6-methoxy-1-(phenylmethyl)-2-((3-(4-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-, inner salt
| Molecular Formula | C29H28N2O4SSe |
|---|---|
| Molecular Weight | 580.09 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.0935 |
| Heavy Atoms | 37 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 63815-75-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[N+](=C(C=C2)C=C3N(C4=CC=CC=C4[Se]3)CCCCS(=O)(=O)[O-])CC5=CC=CC=C5 |
| InChIKey | ZTHVSASDZJTOBJ-UHFFFAOYSA-N |
Product Overview
RefChem:178316 (CAS 63815-75-8), with molecular formula C29H28N2O4SSe and molecular weight 580.09 g/mol. IUPAC: 4-[2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate.
Chemical Property Profile of RefChem:178316
Property Insights of RefChem:178316
The XLogP value of 3.66 indicates that RefChem:178316 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178316. Following Lipinski's Rule of Five, RefChem:178316 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:178316?
The CAS number of RefChem:178316 is 63815-75-8.
What is the molecular formula of RefChem:178316?
The molecular formula of RefChem:178316 is C29H28N2O4SSe.
What is the molecular weight of RefChem:178316?
The molecular weight of RefChem:178316 is 580.09 g/mol.
Where can I buy RefChem:178316?
You can request a quote for RefChem:178316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178316?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.