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CAS 141636-66-0 (S)-FMOC-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 141636-66-0

(S)-FMOC-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS141636-66-0
  • Purity/Analytical Methods: >99.0%
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141636-66-0 / (4S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Standard CAS: 141636-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141636-66-0
Multi CAS
No
Molecular Formula
C21H21NO4S
Molecular Weight
383.500000
Exact Mass
383.119129
SMILES
CC1([C@@H](N(CS1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C
InChI
InChI=1S/C21H21NO4S/c1-21(2)18(19(23)24)22(12-27-21)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKey
AHWBFHCBDIMJQV-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
104.87
TPSA
66.84

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
4
Consensus LogP
3.95
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

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)
-2.1

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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