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CAS 233266-69-8 L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, methyl ester molecular structure lightbox
CAS RN: 233266-69-8

L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, methyl ester

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Batchno.20250905 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS233266-69-8
  • Purity/Analytical Methods: >99.0%
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233266-69-8 / methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoate

Standard CAS: 233266-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
233266-69-8
Multi CAS
No
Molecular Formula
C19H19NO4S
Molecular Weight
357.400000
Exact Mass
357.103479
SMILES
COC(=O)[C@H](CS)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4S/c1-23-18(21)17(11-25)20-19(22)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17,25H,10-11H2,1H3,(H,20,22)/t17-/m0/s1
InChIKey
KZRRJSFOJTUXHR-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
97.86
TPSA
64.63

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77

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

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