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CAS 68000-92-0 FARNESYL CYSTEINE molecular structure lightbox
CAS RN: 68000-92-0

FARNESYL CYSTEINE

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2 package records0 with current stock1 grade group
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Batchno.20250910 10mg Out of stock Inquiry
Batchno.20250211 5mg Out of stock Inquiry
  • Product code: starshine_CAS68000-92-0
  • Purity/Analytical Methods: >99.0%
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68000-92-0 / (2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid

Standard CAS: 68000-92-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68000-92-0
Multi CAS
Yes
Molecular Formula
C18H31NO2S
Molecular Weight
325.500000
Exact Mass
325.207550
InChI
InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1
InChIKey
SYSLNQMKLROGCL-BCYUYYMPSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.61
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
98.35
TPSA
63.32

LogP / Solubility

WLOGP
4.55
MLOGP
4.02
XLogP3
2.5
Consensus LogP
3.69
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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