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CAS 13059-63-7 L-(-)-CYSTINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 13059-63-7

L-(-)-CYSTINE DIHYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS13059-63-7
  • Purity/Analytical Methods: >99.0%
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13059-63-7 / 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;dihydrochloride

Standard CAS: 13059-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13059-63-7
Multi CAS
No
Molecular Formula
C6H14Cl2N2O4S2
Molecular Weight
313.200000
Exact Mass
311.977205
SMILES
C(C(C(=O)O)N)SSCC(C(=O)O)N.Cl.Cl
InChI
InChI=1S/C6H12N2O4S2.2ClH/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);2*1H
InChIKey
HHGZUQPEIHGQST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
70.63
TPSA
126.64

LogP / Solubility

WLOGP
0.04
MLOGP
0.04
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.61

Drug-likeness / Medicinal Chemistry

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

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