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CAS 27665-39-0 1,4-Butane-disulfonate molecular structure lightbox
CAS RN: 27665-39-0

1,4-Butane-disulfonate

  • Product code: SSC-127800
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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: 25g
  • 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 27665-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

27665-39-0 / butane-1,4-disulfonic acid

Standard CAS: 27665-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27665-39-0
Multi CAS
Yes
Molecular Formula
C4H10O6S2
Molecular Weight
218.300000
Exact Mass
217.991880
InChI
InChI=1S/C4H10O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKey
VERAMNDAEAQRGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.07
TPSA
108.74

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.4
XLogP3
-1.3
Consensus LogP
-0.72
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-4.38

Drug-likeness / Medicinal Chemistry

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

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