CAS RN: 103321-58-0
FMOC-D-PHENYLALANYL CHLORIDE
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.20250627 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS103321-58-0
- Purity/Analytical Methods: >99.0%
103321-58-0 / 9H-fluoren-9-ylmethyl N-[(2R)-1-chloro-1-oxo-3-phenylpropan-2-yl]carbamate
FMOC-L-PHENYLALANYL CHLORIDE | (S)-(9H-Fluoren-9-yl)methyl (1-chloro-1-oxo-3-phenylpropan-2-yl)carbamate | MFCD00235827
Basic Information
CAS
103321-58-0
Multi CAS
Yes
Molecular Formula
C24H20ClNO3
Molecular Weight
405.900000
Exact Mass
405.113171
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)Cl)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H20ClNO3/c25-23(27)22(14-16-8-2-1-3-9-16)26-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,26,28)/t22-/m1/s1
InChIKey
LRAXUKFFZHLNMX-JOCHJYFZSA-N
Synonyms
FMOC-L-PHENYLALANYL CHLORIDE
(S)-(9H-Fluoren-9-yl)methyl (1-chloro-1-oxo-3-phenylpropan-2-yl)carbamate
MFCD00235827
9H-FLUOREN-9-YLMETHYL N-[(2S)-1-CHLORO-1-OXO-3-PHENYLPROPAN-2-YL]CARBAMATE
Fmoc-L-Phe-Cl
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
113
TPSA
55.4
LogP / Solubility
WLOGP
4.9
MLOGP
4.34
XLogP3
5.6
Consensus LogP
4.95
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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)
-1.72
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
