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CAS 7729-20-6 (H-CYS-GLY-OH)2 molecular structure lightbox
CAS RN: 7729-20-6

(H-CYS-GLY-OH)2

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7729-20-6
  • Purity/Analytical Methods: >99.0%
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7729-20-6 / 2-[[2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid

Standard CAS: 7729-20-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7729-20-6
Multi CAS
Yes
Molecular Formula
C10H18N4O6S2
Molecular Weight
354.400000
Exact Mass
354.066777
InChI
InChI=1S/C10H18N4O6S2/c11-5(9(19)13-1-7(15)16)3-21-22-4-6(12)10(20)14-2-8(17)18/h5-6H,1-4,11-12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)
InChIKey
KDJVKDYFFTWHBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
6
Molar refractivity
82.16
TPSA
184.84

LogP / Solubility

WLOGP
-2.58
MLOGP
-2.25
XLogP3
-7.6
Consensus LogP
-4.14
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
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)
-6.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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