CAS RN: 1566000-13-2
tert-butyl 3-(3-aminopropyl)phenylcarbamate
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.20260314 | 100mg / 250mg / 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1566000-13-2
- Purity/Analytical Methods: >99.0%
1566000-13-2 / tert-butyl N-[3-(3-aminopropyl)phenyl]carbamate
Basic Information
CAS
1566000-13-2
Multi CAS
No
Molecular Formula
C14H22N2O2
Molecular Weight
250.340000
Exact Mass
250.168128
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)CCCN
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12-8-4-6-11(10-12)7-5-9-15/h4,6,8,10H,5,7,9,15H2,1-3H3,(H,16,17)
InChIKey
ZTYXSCZVMQHFQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.67
TPSA
64.35
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-CYCLOPENTYL-1H-PYRAZOL-5-OL
- CAS RN: 1566287-80-6
- Product Code: starshine_CAS1566287-80-6
- Purity/Analytical method: >99.0%
-
Methyl 5aMino1Methyl1Hindazole3carboxylate
- CAS RN: 1566649-43-1
- Product Code: starshine_CAS1566649-43-1
- Purity/Analytical method: >99.0%
-
-
1,7-diazaspiro[4.4]nonan-2-one TFA salt (1:1)
- CAS RN: 1566649-47-5
- Product Code: SSC-065757
-
4,8-Dichloro-6-fluoroquinazoline
- CAS RN: 1566729-83-6
- Product Code: starshine_CAS1566729-83-6
- Purity/Analytical method: >99.0%
-
Quinazoline, 8-bromo-4-chloro-5-methyl-
- CAS RN: 1566908-17-5
- Product Code: starshine_CAS1566908-17-5
- Purity/Analytical method: >99.0%
![CAS 1566649-44-2 1,3-Bis(Cbz-aMino)-Bicyclo[1.1.1]pentane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1566649-44-2.gif)
![CAS 1566649-47-5 1,7-diazaspiro[4.4]nonan-2-one TFA salt (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1566649-47-5.gif)
