RefChem:178315
TL;DR: RefChem:178315 (CAS 63816-07-9) is a chemical compound with molecular formula C28H26N2O4SSe and molecular weight 566.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]benzo[d][1,3]selenazol-1-yl]propane-1-sulfonate
Also Known As: 6-Methoxy-1-(phenylmethyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)quinolinium hydroxide, inner salt, Quinolinium, 6-methoxy-1-(phenylmethyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-, hydroxide, inner salt, Quinolinium, 6-methoxy-1-(phenylmethyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-, inner salt, 1-Benzyl-6-methoxy-2-((3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)quinolinium, 1-Benzyl-6-methoxy-2-[[3-(3-sulfonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
| Molecular Formula | C28H26N2O4SSe |
|---|---|
| Molecular Weight | 566.08 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.0778 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 63816-07-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[N+](=C(C=C2)C=C3N=C4C=CC=CC4=[Se]3CCCS(=O)(=O)[O-])CC5=CC=CC=C5 |
| InChIKey | GNJSRIJDCFQQKH-UHFFFAOYSA-N |
Product Overview
RefChem:178315 (CAS 63816-07-9), with molecular formula C28H26N2O4SSe and molecular weight 566.08 g/mol. IUPAC: 3-[2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]benzo[d][1,3]selenazol-1-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:178315
Property Insights of RefChem:178315
The XLogP value of 3.66 indicates that RefChem:178315 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178315. Following Lipinski's Rule of Five, RefChem:178315 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:178315?
The CAS number of RefChem:178315 is 63816-07-9.
What is the molecular formula of RefChem:178315?
The molecular formula of RefChem:178315 is C28H26N2O4SSe.
What is the molecular weight of RefChem:178315?
The molecular weight of RefChem:178315 is 566.08 g/mol.
Where can I buy RefChem:178315?
You can request a quote for RefChem:178315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178315?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.