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CAS 352431-53-9 DL-CYSTINE-2,2′,3,3,3′,3′-D6 molecular structure lightbox
CAS RN: 352431-53-9

DL-CYSTINE-2,2′,3,3,3′,3′-D6

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250204 10mg In stock Inquiry
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Batchno.20250129 5mg In stock Inquiry
  • Product code: starshine_CAS352431-53-9
  • Purity/Analytical Methods: >99.0%
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352431-53-9 / 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid

Standard CAS: 352431-53-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
352431-53-9
Multi CAS
Yes
Molecular Formula
C6H12N2O4S2
Molecular Weight
240.300000
Exact Mass
240.023849
InChI
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/i1D2,2D2,3D,4D
InChIKey
LEVWYRKDKASIDU-UFSLNRCZSA-N

Physical Properties

Physical Description
Solid; [Merck Index] Off-white solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
56.14
TPSA
126.64

LogP / Solubility

WLOGP
-0.81
MLOGP
-0.71
XLogP3
-6.3
Consensus LogP
-2.61
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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