N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
TL;DR: N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate (CAS 128969-82-4) is a chemical compound with molecular formula C63H98N4O17S3 and molecular weight 1278.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]sulfamoyl]benzenesulfonate
Also Known As: Sgalcer-RH, Lrh-CS, Na-methyl-nitroethylindole, N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate, 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]sulfamoyl]benzenesulfonate
| Molecular Formula | C63H98N4O17S3 |
|---|---|
| Molecular Weight | 1278.61 g/mol |
| LogP | 8.6928 |
| Topological Polar Surface Area | 314.84 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 42 |
| Exact Mass | 1278.6089 |
| Heavy Atoms | 87 |
| Complexity | 3147.2878 |
Chemical Identifiers
| CAS Number | 128969-82-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCNS(=O)(=O)C2=CC(=C(C=C2)C3=C4C=CC(=[N+](CC)CC)C=C4OC5=C3C=CC(=C5)N(CC)CC)S(=O)(=O)[O-])O |
Product Overview
N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate (CAS 128969-82-4), with molecular formula C63H98N4O17S3 and molecular weight 1278.61 g/mol. IUPAC: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]sulfamoyl]benzenesulfonate.
Chemical Property Profile of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
Property Insights of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
The XLogP value of 8.6928 indicates that N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 314.84 Ų indicates high polarity, suggesting N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate?
The CAS number of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate is 128969-82-4.
What is the molecular formula of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate?
The molecular formula of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate is C63H98N4O17S3.
What is the molecular weight of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate?
The molecular weight of N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate is 1278.61 g/mol.
Where can I buy N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate?
You can request a quote for N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.