CAS RN: 1051375-13-3
GSK1265744 (sodiuM salt)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250306 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1051375-13-3
- Purity/Analytical Methods: >99.0%
1051375-13-3 / sodium (3R,6S)-12-[(2,4-difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-olate
Cabotegravir sodium | Vocabria | GSK1265744B
Basic Information
CAS
1051375-13-3
Multi CAS
Yes
Molecular Formula
C19H16F2N3NaO5
Molecular Weight
427.300000
Exact Mass
427.095571
SMILES
C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]
InChI
InChI=1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27);/q;+1/p-1/t9-,14+;/m0./s1
InChIKey
AEZBWGMXBKPGFP-KIUAEZIZSA-M
Synonyms
Cabotegravir sodium
Vocabria
GSK1265744B
GSK-1265744B
S-265744B
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.05
TPSA
103.7
LogP / Solubility
WLOGP
-2.67
MLOGP
-2.32
XLogP3
-2.67
Consensus LogP
-2.55
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very 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)
-7.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
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