![CAS 951382-34-6 L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951382-34-6.gif)
CAS RN: 951382-34-6
L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1)
Product Availability
Choose a grade to view its available package options.
14 package records14 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250205 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250908 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250320 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260410 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260427 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20260426 | 5mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS951382-34-6
- Purity/Analytical Methods: >99.0%
951382-34-6 / (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-pyrrolidine-2-carboxylic acid
Basic Information
CAS
951382-34-6
Multi CAS
Yes
Molecular Formula
C26FH30NO7S
Molecular Weight
519.600000
Exact Mass
519.172702
InChI
InChI=1S/C21H21FO5S.C5H9NO2/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14;7-5(8)4-2-1-3-6-4/h1-8,16,18-21,23-26H,9-10H2;4,6H,1-3H2,(H,7,8)/t16-,18-,19+,20-,21+;4-/m10/s1
InChIKey
TUVGWWULBZIUBS-FVYIYGEMSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
6
Molar refractivity
132.41
TPSA
139.48
LogP / Solubility
WLOGP
1.97
MLOGP
1.77
XLogP3
1.97
Consensus LogP
1.9
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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