CAS RN: 2708-77-2
DL-4-FluoroglutaMic acid
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: LIND920430
2708-77-2 / 2-amino-4-fluoropentanedioic acid
Basic Information
CAS
2708-77-2
Multi CAS
No
Molecular Formula
C5H8FNO4
Molecular Weight
165.120000
Exact Mass
165.043736
SMILES
C(C(C(=O)O)N)C(C(=O)O)F
InChI
InChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)
InChIKey
JPSHPWJJSVEEAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.76
TPSA
100.62
LogP / Solubility
WLOGP
-0.79
MLOGP
-0.7
XLogP3
-3
Consensus LogP
-1.5
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4-Fluoro-l-leucine ethyl ester and pyridine sulfate compounds
- CAS RN: 1459196-65-6
- Product Code: LINF905487
-
-
4-Fluorothieno[2,3-c]pyridine-2-carboxylic acid
- CAS RN: 870235-46-4
- Product Code: LINF898273
-
-
4-Fluorobenzylzinc chloride, 0.5M solution in THF
- CAS RN: 312693-07-5
- Product Code: LINF920253
-
Benzyl 4-oxo-3,4-dihydroquinoline-1(2H)-carboxylate
- CAS RN: 934192-22-0
- Product Code: SSC-207622
![CAS 870235-46-4 4-Fluorothieno[2,3-c]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/870235-46-4.png)
