CAS RN: 252049-02-8
Fmoc-D-Threoninol
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.20250316 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS252049-02-8
- Purity/Analytical Methods: >99.0%
252049-02-8 / 9H-fluoren-9-ylmethyl N-[(2R,3S)-1,3-dihydroxybutan-2-yl]carbamate
Basic Information
CAS
252049-02-8
Multi CAS
No
Molecular Formula
C19H21NO4
Molecular Weight
327.400000
Exact Mass
327.147058
SMILES
C[C@@H]([C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18+/m0/s1
InChIKey
YOKDHMTZJSRRIQ-KPZWWZAWSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
90.76
TPSA
78.79
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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FMOC-D-LYS(NICOTINOYL)-OH
- CAS RN: 252049-12-0
- Product Code: starshine_CAS252049-12-0
- Purity/Analytical method: >99.0%
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