CAS RN: 13105-54-9
Carbamic acid,N-butyl-, 2-hydroxyethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250608 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS13105-54-9
- Purity/Analytical Methods: >99.0%
13105-54-9 / 2-hydroxyethyl N-butylcarbamate
Basic Information
CAS
13105-54-9
Multi CAS
No
Molecular Formula
C7H15NO3
Molecular Weight
161.200000
Exact Mass
161.105193
SMILES
CCCCNC(=O)OCCO
InChI
InChI=1S/C7H15NO3/c1-2-3-4-8-7(10)11-6-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKey
CNTRRBGETIJCNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.34
TPSA
58.56
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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