CAS RN: 133565-47-6
FMOC-L-METHIONINOL
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.20250215 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS133565-47-6
- Purity/Analytical Methods: >99.0%
133565-47-6 / 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]carbamate
Basic Information
CAS
133565-47-6
Multi CAS
No
Molecular Formula
C20H23NO3S
Molecular Weight
357.500000
Exact Mass
357.139865
SMILES
CSCC[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H23NO3S/c1-25-11-10-14(12-22)21-20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19,22H,10-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKey
NEUMQDFIIJNLGB-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
102.08
TPSA
58.56
LogP / Solubility
WLOGP
3.64
MLOGP
3.22
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
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
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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