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CAS 133565-45-4 FMOC-ASPARTIMOL(OTBU) molecular structure lightbox
CAS RN: 133565-45-4

FMOC-ASPARTIMOL(OTBU)

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 1g In stock Inquiry
Batchno.20250309 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 250mg / 1g / 5g / 10g / 50g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-040428
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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, 5g
  • 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 133565-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

133565-45-4 / tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate

Standard CAS: 133565-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133565-45-4
Multi CAS
No
Molecular Formula
C23H27NO5
Molecular Weight
397.500000
Exact Mass
397.188923
SMILES
CC(C)(C)OC(=O)C[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO5/c1-23(2,3)29-21(26)12-15(13-25)24-22(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,25H,12-14H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKey
BSWAVDINBJTJNU-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
109.54
TPSA
84.86

LogP / Solubility

WLOGP
3.62
MLOGP
3.21
XLogP3
3.2
Consensus LogP
3.34
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-2.58

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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