D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
TL;DR: D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester (CAS 223920-67-0) is a chemical compound with molecular formula C21H19N3O7S2 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethoxy-2-nitrophenyl)ethyl (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Also Known As: DMNPE-caged Luciferin, Luciferin-DMNPE, DMNPE, DMNPE-caged D-luciferin, D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
| Molecular Formula | C21H19N3O7S2 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 4.0937 |
| Topological Polar Surface Area | 133.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.06644 |
| Heavy Atoms | 33 |
| Complexity | 1274.2219 |
Chemical Identifiers
| CAS Number | 223920-67-0 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OC(=O)[C@H]2CSC(=N2)C3=NC4=C(S3)C=C(C=C4)O |
Product Overview
D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester (CAS 223920-67-0), with molecular formula C21H19N3O7S2 and molecular weight 489.07 g/mol. IUPAC: 1-(4,5-dimethoxy-2-nitrophenyl)ethyl (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
Chemical Property Profile of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
Property Insights of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
The XLogP value of 4.0937 indicates that D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.38 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester. Following Lipinski's Rule of Five, D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester has 1 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 D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester?
The CAS number of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester is 223920-67-0.
What is the molecular formula of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester?
The molecular formula of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester is C21H19N3O7S2.
What is the molecular weight of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester?
The molecular weight of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester is 489.07 g/mol.
Where can I buy D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester?
You can request a quote for D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.