CAS RN: 20115-09-7
dehydroluciferin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20115-09-7
- Purity/Analytical Methods: >99.0%
20115-09-7 / 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
20115-09-7
Multi CAS
No
Molecular Formula
C11H6N2O3S2
Molecular Weight
278.300000
Exact Mass
277.981984
SMILES
C1=CC2=C(C=C1O)SC(=N2)C3=NC(=CS3)C(=O)O
InChI
InChI=1S/C11H6N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-4,14H,(H,15,16)
InChIKey
CYCGRDQQIOGCKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.35
TPSA
83.31
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Benzenemethanamine, N-(2-methyl-4-nitrophenyl)-
- CAS RN: 201157-13-3
- Product Code: SSC-094898
-
tert-butyl(1R,5S)-3-(2-chloropyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
- CAS RN: 201162-46-1
- Product Code: SSC-094902
-
tert-butyl 8-benzyl-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylate
- CAS RN: 201162-52-9
- Product Code: SSC-094903
-
tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
- CAS RN: 201162-53-0
- Product Code: SSC-094904
-
2,2-Dimethyl-4-isopropyl-1,3-benzodioxole (Propofol Impurity L)
- CAS RN: 201166-22-5
- Product Code: SSC-094907
-
![CAS 201162-46-1 tert-butyl(1R,5S)-3-(2-chloropyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201162-46-1.gif)
![CAS 201162-52-9 tert-butyl 8-benzyl-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201162-52-9.gif)
![CAS 201162-53-0 tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201162-53-0.gif)
