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CAS 80901-86-6 BIS-(6-HYDROXYHEXYL)DISULFIDE molecular structure lightbox
CAS RN: 80901-86-6

BIS-(6-HYDROXYHEXYL)DISULFIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS80901-86-6
  • Purity/Analytical Methods: >99.0%
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80901-86-6 / 6-(6-hydroxyhexyldisulfanyl)hexan-1-ol

Standard CAS: 80901-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80901-86-6
Multi CAS
No
Molecular Formula
C12H26O2S2
Molecular Weight
266.500000
Exact Mass
266.137422
InChI
InChI=1S/C12H26O2S2/c13-9-5-1-3-7-11-15-16-12-8-4-2-6-10-14/h13-14H,1-12H2
InChIKey
HPKCPHUCATZKGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.02
TPSA
40.46

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
2.4
Consensus LogP
2.98
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

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

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