CAS RN: 1260907-17-2
GSK 525762A
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251027 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260429 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260311 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250601 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251025 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251210 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20251220 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1260907-17-2
- Purity/Analytical Methods: >99.0%
1260907-17-2 / 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
Basic Information
CAS
1260907-17-2
Multi CAS
No
Molecular Formula
C22H22ClN5O2
Molecular Weight
423.900000
Exact Mass
423.146203
SMILES
CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKey
AAAQFGUYHFJNHI-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
115.78
TPSA
81.4
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
2.9
Consensus LogP
3.27
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P363, P405, and P501
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