CAS RN: 103321-51-3
FMOC-ILE-CL
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.20251218 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103321-51-3
- Purity/Analytical Methods: >99.0%
103321-51-3 / 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-chloro-3-methyl-1-oxopentan-2-yl]carbamate
Fmoc-Ile-Cl
Basic Information
CAS
103321-51-3
Multi CAS
Yes
Molecular Formula
C21H22ClNO3
Molecular Weight
371.900000
Exact Mass
371.128821
SMILES
CC[C@H](C)[C@@H](C(=O)Cl)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H22ClNO3/c1-3-13(2)19(20(22)24)23-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,23,25)/t13-,19-/m0/s1
InChIKey
UBXQQZYYSMFLLM-DJJJIMSYSA-N
Synonyms
Fmoc-Ile-Cl
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.31
TPSA
55.4
LogP / Solubility
WLOGP
4.71
MLOGP
4.16
XLogP3
5.4
Consensus LogP
4.76
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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