CAS RN: 1306763-71-2
(R)-tert-butyl (4-(5-(3-cyanophenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)carbamate
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.20260604 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-037280
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1306763-71-2 / tert-butyl N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
Basic Information
CAS
1306763-71-2
Multi CAS
No
Molecular Formula
C26H28N4O4
Molecular Weight
460.500000
Exact Mass
460.211055
SMILES
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NC(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C26H28N4O4/c1-15(2)32-22-12-9-16(13-17(22)14-27)24-29-23(30-34-24)20-8-6-7-19-18(20)10-11-21(19)28-25(31)33-26(3,4)5/h6-9,12-13,15,21H,10-11H2,1-5H3,(H,28,31)/t21-/m0/s1
InChIKey
RYRFCNMPRIMYFA-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.08
TPSA
110.27
LogP / Solubility
WLOGP
5.57
MLOGP
4.94
XLogP3
4.9
Consensus LogP
5.14
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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