CAS RN: 1306763-31-4
(R)-tert-butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
- Product code: SSC-037275
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1306763-31-4 / tert-butyl N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
Basic Information
CAS
1306763-31-4
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-/m0/s1
InChIKey
LBHMMDUJKBJVQI-ZDUSSCGKSA-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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![CAS 1306763-61-0 Carbamic acid,N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1306763-61-0.gif)
![CAS 1306763-62-1 Carbamic acid,N-[(1S)-2,3-dihydro-4-[(hydroxyamino)iminomethyl]-1H-inden-1-yl]-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1306763-62-1.gif)
