![CAS 1149727-73-0 N-[(1R)-1-(4-Cyanophenyl)ethyl]carbamic acid tert-butyl este molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1149727-73-0.gif)
CAS RN: 1149727-73-0
N-[(1R)-1-(4-Cyanophenyl)ethyl]carbamic acid tert-butyl este
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.20250428 | 100mg / 250mg / 1g | Out of stock | 2 business days | Inquiry |
- Product code: starshine_CAS1149727-73-0
- Purity/Analytical Methods: >99.0%
1149727-73-0 / tert-butyl N-[(1R)-1-(4-cyanophenyl)ethyl]carbamate
(R)-tert-butyl (1-(4-cyanophenyl)ethyl)carbamate | tert-Butyl (1-(4-cyanophenyl)ethyl)carbamate | tert-butyl N-[(1R)-1-(4-cyanophenyl)ethyl]carbamate
Basic Information
CAS
1149727-73-0
Multi CAS
Yes
Molecular Formula
C14H18N2O2
Molecular Weight
246.300000
Exact Mass
246.136828
SMILES
C[C@H](C1=CC=C(C=C1)C#N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H18N2O2/c1-10(16-13(17)18-14(2,3)4)12-7-5-11(9-15)6-8-12/h5-8,10H,1-4H3,(H,16,17)/t10-/m1/s1
InChIKey
SYCYTDVODOGBBU-SNVBAGLBSA-N
Synonyms
(R)-tert-butyl (1-(4-cyanophenyl)ethyl)carbamate
tert-Butyl (1-(4-cyanophenyl)ethyl)carbamate
tert-butyl N-[(1R)-1-(4-cyanophenyl)ethyl]carbamate
SCHEMBL13149842
CS-M0041
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.94
TPSA
62.12
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
2.5
Consensus LogP
2.8
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
2-Propenoic acid, 2-methyl-, 1-(1-methylethyl)cyclopentyl ester
- CAS RN: 1149760-04-2
- Product Code: SSC-014667
-
(1S)-1-(2-FLUORO-4-METHOXYPHENYL)ETHYLAMINE
- CAS RN: 1149804-63-6
- Product Code: SSC-014672
-
Dichloro[2-(4,5-dihydro-2-oxazolyl)quinoline]palladium(II)
- CAS RN: 1150097-98-5
- Product Code: SSC-014699
-
7-Chloro-5-oxo-1,2,3,5-tetrahydro-indolizine-8-carboxylic acid methyl ester
- CAS RN: 1150098-21-7
- Product Code: starshine_CAS1150098-21-7
- Purity/Analytical method: >99.0%
-
7-chloro-1,2,3,5-tetrahydro-5-oxoindolizine-8-carboxylic acid
- CAS RN: 1150098-39-7
- Product Code: SSC-014700
-
![CAS 1150097-98-5 Dichloro[2-(4,5-dihydro-2-oxazolyl)quinoline]palladium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150097-98-5.gif)
