![CAS 1346617-23-9 (4S)-4-hydroxy-4-(1,1,2,2,2-pentadeuterioethyl)-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346617-23-9.gif)
CAS RN: 1346617-23-9
(4S)-4-hydroxy-4-(1,1,2,2,2-pentadeuterioethyl)-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251030 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1346617-23-9
- Purity/Analytical Methods: >99.0%
1346617-23-9 / (4S)-4-hydroxy-4-(1,1,2,2,2-pentadeuterioethyl)-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
Basic Information
CAS
1346617-23-9
Multi CAS
No
Molecular Formula
C13H13NO5
Molecular Weight
268.280000
Exact Mass
268.110756
SMILES
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1/i1D3,2D2
InChIKey
IGKWOGMVAOYVSJ-LZEHPYLUSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.63
TPSA
85.6
LogP / Solubility
WLOGP
0.09
MLOGP
0.09
XLogP3
-0.8
Consensus LogP
-0.21
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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