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CAS 45127-11-5 Coenzyme molecular structure lightbox
CAS RN: 45127-11-5

Coenzyme

  • Product code: SSC-152951
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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: 1g
  • 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 45127-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

45127-11-5 / 2-(2-sulfoethyldisulfanyl)ethanesulfonic acid

Standard CAS: 45127-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45127-11-5
Multi CAS
Yes
Molecular Formula
C4H10O6S4
Molecular Weight
282.400000
Exact Mass
281.936023
InChI
InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKey
BYUKOOOZTSTOOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
57.75
TPSA
108.74

LogP / Solubility

WLOGP
0.14
MLOGP
0.14
XLogP3
-1.3
Consensus LogP
-0.34
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.45
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)
-4.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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