CAS RN: 36369-34-3
(R)-2-(((Benzyloxy)carbonyl)amino)-3-fluoropropanoic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251228 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR898688
36369-34-3 / (2R)-3-fluoro-2-(phenylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
36369-34-3
Multi CAS
Yes
Molecular Formula
C11FH12NO4
Molecular Weight
241.220000
Exact Mass
241.075036
InChI
InChI=1S/C11H12FNO4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey
FXFJJOJQOPXMPP-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.16
TPSA
75.63
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-3.24
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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