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CAS 485800-26-8 t-Boc-Cystamine molecular structure lightbox
CAS RN: 485800-26-8

t-Boc-Cystamine

  • Product code: SSC-155291
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 485800-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

485800-26-8 / tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate

Standard CAS: 485800-26-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
485800-26-8
Multi CAS
Yes
Molecular Formula
C9H20N2O2S2
Molecular Weight
252.400000
Exact Mass
252.096620
InChI
InChI=1S/C9H20N2O2S2/c1-9(2,3)13-8(12)11-5-7-15-14-6-4-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKey
XGHNLHVZHBSTHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.21
TPSA
64.35

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
0.7
Consensus LogP
1.4
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

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
1.5

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