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CAS 583-89-1 L-CYSTINE DIETHYL ESTER DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 583-89-1

L-CYSTINE DIETHYL ESTER DIHYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS583-89-1
  • Purity/Analytical Methods: >99.0%
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583-89-1 / ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate

Standard CAS: 583-89-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
583-89-1
Multi CAS
Yes
Molecular Formula
C10H20N2O4S2
Molecular Weight
296.400000
Exact Mass
296.086449
InChI
InChI=1S/C10H20N2O4S2/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2/h7-8H,3-6,11-12H2,1-2H3
InChIKey
CIKFAVCRANPUES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
74.13
TPSA
104.64

LogP / Solubility

WLOGP
0.15
MLOGP
0.14
XLogP3
-0.3
Consensus LogP
0.0000
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-4.42

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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