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CAS 1217833-77-6 FMOC-(2R,3S)-2-AMINO-3-HYDROXY-4-METHYLPENTANOIC ACID molecular structure lightbox
CAS RN: 1217833-77-6

FMOC-(2R,3S)-2-AMINO-3-HYDROXY-4-METHYLPENTANOIC ACID

  • Product code: SSC-024546
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217833-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1217833-77-6 / (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-4-methylpentanoic acid

Standard CAS: 1217833-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217833-77-6
Multi CAS
No
Molecular Formula
C21H23NO5
Molecular Weight
369.400000
Exact Mass
369.157623
SMILES
CC(C)[C@@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C21H23NO5/c1-12(2)19(23)18(20(24)25)22-21(26)27-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-19,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t18-,19+/m1/s1
InChIKey
LYRGLIQVUMAZJU-MOPGFXCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
100.47
TPSA
95.86

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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