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CAS 67-16-3 Thiamine Disulfide molecular structure lightbox
CAS RN: 67-16-3

Thiamine Disulfide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250718 100g In stock Inquiry
Batchno.20250314 1g In stock Inquiry
Batchno.20250224 25g In stock Inquiry
Batchno.20250906 5g In stock Inquiry
  • Product code: SSC-176650
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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 67-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

67-16-3 / N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide

Standard CAS: 67-16-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67-16-3
Multi CAS
Yes
Molecular Formula
C24H34N8O4S2
Molecular Weight
562.700000
Exact Mass
562.214444
InChI
InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
InChIKey
GFEGEDUIIYDMOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
15
H-bond acceptors
12
H-bond donors
4
Molar refractivity
149.56
TPSA
184.68

LogP / Solubility

WLOGP
2.27
MLOGP
2.04
XLogP3
-0.5
Consensus LogP
1.27
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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