CAS RN: 145613-12-3
D-LUCIFERIN 6′-O-PHOSPHATE TRISODIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS145613-12-3
- Purity/Analytical Methods: >99.0%
145613-12-3 / trisodium;(4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Basic Information
CAS
145613-12-3
Multi CAS
No
Molecular Formula
C11H6N2Na3O6PS2
Molecular Weight
426.300000
Exact Mass
425.909798
SMILES
C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C11H9N2O6PS2.3Na/c14-11(15)7-4-21-9(13-7)10-12-6-2-1-5(3-8(6)22-10)19-20(16,17)18;;;/h1-3,7H,4H2,(H,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t7-;;;/m1.../s1
InChIKey
QVWNEBIRLVIOBC-LSBIWMFESA-K
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
10
Molar refractivity
75.64
TPSA
137.8
LogP / Solubility
WLOGP
-9.87
MLOGP
-8.66
XLogP3
-9.87
Consensus LogP
-9.47
Log S (ESOL)
3.73
Class (ESOL)
Highly soluble
Log S (Ali)
4.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.28
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Cyclohexaneacetic acid, a-aMino-, Methyl ester, (S)-
- CAS RN: 145618-11-7
- Product Code: SSC-056897
-
4-Methyl 2-Tert-Butyloxazolidine-3,4-Dicarboxylate
- CAS RN: 145625-08-7
- Product Code: SSC-056902
-
3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
- CAS RN: 145643-96-5
- Product Code: starshine_CAS145643-96-5
- Purity/Analytical method: >99.0%
-
4-METHOXY-3-(2-PROPYNYLOXY)BENZENECARBALDEHYDE
- CAS RN: 145654-01-9
- Product Code: SSC-056915
-
CETRORELIX
- CAS RN: 145672-81-7
- Product Code: starshine_CAS145672-81-7
- Purity/Analytical method: >99.0%
-
![CAS 145643-96-5 3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145643-96-5.gif)
