![CAS 1365284-49-6 (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-methylphenyl)methyl]selanyl}propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365284-49-6.gif)
CAS RN: 1365284-49-6
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-methylphenyl)methyl]selanyl}propanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251202 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1365284-49-6
- Purity/Analytical Methods: >99.0%
1365284-49-6 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methylphenyl)methylselanyl]propanoic acid
Basic Information
CAS
1365284-49-6
Multi CAS
No
Molecular Formula
C26H25NO4Se
Molecular Weight
494.500000
Exact Mass
495.094880
SMILES
CC1=CC=C(C=C1)C[Se]C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4Se/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
ONTNSAXNCVVXSV-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
125.07
TPSA
75.63
LogP / Solubility
WLOGP
4.61
MLOGP
4.09
XLogP3
4.61
Consensus LogP
4.44
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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