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CAS 103321-57-9 FMOC-L-PHENYLALANYL CHLORIDE molecular structure lightbox
CAS RN: 103321-57-9

FMOC-L-PHENYLALANYL CHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS103321-57-9
  • Purity/Analytical Methods: >99.0%
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103321-57-9 / 9H-fluoren-9-ylmethyl N-[(2S)-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

Standard CAS: 103321-57-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103321-57-9
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-/m0/s1
InChIKey
LRAXUKFFZHLNMX-QFIPXVFZSA-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

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