CAS RN: 1629063-78-0
Venglustat
Product Availability
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7 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251125 | 100mg | Out of stock | Inquiry |
| Batchno.20250917 | 10mg | Out of stock | Inquiry |
| Batchno.20260412 | 1mg | Out of stock | Inquiry |
| Batchno.20250322 | 25mg | Out of stock | Inquiry |
| Batchno.20250221 | 2mg | Out of stock | Inquiry |
| Batchno.20250920 | 50mg | Out of stock | Inquiry |
| Batchno.20250624 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1629063-78-0
- Purity/Analytical Methods: >99.0%
1629063-78-0 / [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate;(2S)-2-hydroxybutanedioic acid
Basic Information
CAS
1629063-78-0
Multi CAS
No
Molecular Formula
C24H30FN3O7S
Molecular Weight
523.600000
Exact Mass
523.178850
SMILES
CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4.C([C@@H](C(=O)O)O)C(=O)O
InChI
InChI=1S/C20H24FN3O2S.C4H6O5/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24;5-2(4(8)9)1-3(6)7/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)/t16-;2-/m10/s1
InChIKey
SQXUKOJKIWCALK-AAXLQGCPSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
4
Molar refractivity
129
TPSA
149.29
LogP / Solubility
WLOGP
2.91
MLOGP
2.6
XLogP3
2.91
Consensus LogP
2.81
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H361 (100%): Suspected of damaging fertility or the unborn child [Warning 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, P270, P280, P301+P317, P318, P319, P330, P405, and P501
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