CAS RN: 1306763-30-3
(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250616 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250709 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250502 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250620 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260105 | 250mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20260201 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINR892715
1306763-30-3 / tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
Basic Information
CAS
1306763-30-3
Multi CAS
No
Molecular Formula
C15H18N2O2
Molecular Weight
258.320000
Exact Mass
258.136828
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCC2=C(C=CC=C12)C#N
InChI
InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKey
LBHMMDUJKBJVQI-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.59
TPSA
62.12
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
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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