CAS RN: 43080-09-7
3-t-butoxycarbonylaminobutyric acid
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.20260518 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT926965
43080-09-7 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
43080-09-7
Multi CAS
No
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
InChI
InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKey
PYNDHEONPQYIAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.08
TPSA
75.63
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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