CAS RN: 229957-49-7
Fmoc-L-threonine monohydrate
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.20250721 | 1kg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS229957-49-7
- Purity/Analytical Methods: >99.0%
229957-49-7 / (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid;hydrate
Basic Information
CAS
229957-49-7
Multi CAS
No
Molecular Formula
C19H21NO6
Molecular Weight
359.400000
Exact Mass
359.136887
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O.O
InChI
InChI=1S/C19H19NO5.H2O/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23);1H2/t11-,17+;/m1./s1
InChIKey
CGNQPFAECJFQNV-NRNQBQMASA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.92
TPSA
127.36
LogP / Solubility
WLOGP
1.53
MLOGP
1.37
XLogP3
1.53
Consensus LogP
1.48
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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