4-Methylluciferin
TL;DR: 4-Methylluciferin (CAS 130593-26-9) is a chemical compound with molecular formula C12H10N2O3S2 and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-2-(6-hydroxy-4-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Also Known As: 4-Methylluciferin, 4-Methyl-D-luciferin, 2-Benzothiazolecarboxylicacid,6-methoxy-4-methyl, 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-4-methyl-2-benzothiazolyl)-, (S)-, 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-4-methyl-2-benzothiazolyl)-, (S)- (9CI)
| Molecular Formula | C12H10N2O3S2 |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.01328 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 130593-26-9 |
|---|---|
| SMILES | CC1=CC(=CC2=C1N=C(S2)C3=N[C@H](CS3)C(=O)O)O |
| InChIKey | NIYJAWAPTYCFGV-SSDOTTSWSA-N |
Product Overview
4-Methylluciferin (CAS 130593-26-9), with molecular formula C12H10N2O3S2 and molecular weight 294.01 g/mol. IUPAC: (4S)-2-(6-hydroxy-4-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 4-Methylluciferin
Property Insights of 4-Methylluciferin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylluciferin. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylluciferin. Following Lipinski's Rule of Five, 4-Methylluciferin has 2 hydrogen bond donor(s) and 7 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 4-Methylluciferin?
The CAS number of 4-Methylluciferin is 130593-26-9.
What is the molecular formula of 4-Methylluciferin?
The molecular formula of 4-Methylluciferin is C12H10N2O3S2.
What is the molecular weight of 4-Methylluciferin?
The molecular weight of 4-Methylluciferin is 294.01 g/mol.
Where can I buy 4-Methylluciferin?
You can request a quote for 4-Methylluciferin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylluciferin?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylluciferin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.