CAS RN: 179419-05-7
tert-butyl (4-hydroxy-3,3-dimethylbutyl)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.20250821 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS179419-05-7
- Purity/Analytical Methods: >99.0%
179419-05-7 / tert-butyl N-(4-hydroxy-3,3-dimethylbutyl)carbamate
Basic Information
CAS
179419-05-7
Multi CAS
No
Molecular Formula
C11H23NO3
Molecular Weight
217.310000
Exact Mass
217.167794
SMILES
CC(C)(C)OC(=O)NCCC(C)(C)CO
InChI
InChI=1S/C11H23NO3/c1-10(2,3)15-9(14)12-7-6-11(4,5)8-13/h13H,6-8H2,1-5H3,(H,12,14)
InChIKey
UFWQGKBJLGTMDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.72
TPSA
58.56
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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