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: 10g
Available purity: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 144701-23-5
Pack Size
Recorded Purity
Available Qty
Ship From
Inquiry
10g
≥95%
0
Out of Stock
Hong Kong
Inquiry
144701-23-5 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid
Standard CAS: 144701-23-5
Multi CAS: No
Basic Information
copy
CAS
144701-23-5 copy
Multi CAS
No copy
Molecular Formula
C20H21NO4S copy
Molecular Weight
371.500000 copy
Exact Mass
371.119129 copy
SMILES
CSCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 copy
InChI
InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23) copy
InChIKey
BUBGAUHBELNDEW-UHFFFAOYSA-N copy
Computed Properties
copy
Structural Parameters
Heavy atom count
26 copy
Aromatic heavy atom count
12 copy
Fraction Csp3
0.3 copy
Rotatable bonds
7 copy
H-bond acceptors
4 copy
H-bond donors
2 copy
Molar refractivity
102.63 copy
TPSA
75.63 copy
LogP / Solubility
WLOGP
3.73 copy
MLOGP
3.3 copy
XLogP3
3.7 copy
Consensus LogP
3.58 copy
Log S (ESOL)
-4.37 copy
Class (ESOL)
Slightly soluble copy
Log S (Ali)
-5.3 copy
Class (Ali)
Slightly soluble copy
Log S (SILICOS-IT)
-6.01 copy
Class (SILICOS-IT)
Insoluble copy
ADME
GI absorption
High copy
BBB permeant
No copy
P-gp substrate
No copy
CYP1A2 inhibitor
Yes copy
CYP2C19 inhibitor
Yes copy
CYP2C9 inhibitor
Yes copy
CYP2D6 inhibitor
Yes copy
CYP3A4 inhibitor
Yes copy
Log Kp (skin permeation)
-2.34 copy
Drug-likeness / Medicinal Chemistry
Lipinski
Yes copy
Ghose
Yes copy
Veber
Yes copy
Egan
Yes copy
Muegge
Yes copy
Bioavailability score
0.55 copy
Leadlikeness
No copy
Synthetic Accessibility
3 copy