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CAS 999-72-4 N,N’-Dimethyl-3,3′-dithiodipropionamide molecular structure lightbox
CAS RN: 999-72-4

N,N’-Dimethyl-3,3′-dithiodipropionamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260508 1g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-213412
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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: 100g
  • 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 999-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

999-72-4 / N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide

Standard CAS: 999-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
999-72-4
Multi CAS
No
Molecular Formula
C8H16N2O2S2
Molecular Weight
236.400000
Exact Mass
236.065320
SMILES
CNC(=O)CCSSCCC(=O)NC
InChI
InChI=1S/C8H16N2O2S2/c1-9-7(11)3-5-13-14-6-4-8(12)10-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
QUHFFYTTZGTUQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.28
TPSA
58.2

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
-0.6
Consensus LogP
0.2
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.71

Drug-likeness / Medicinal Chemistry

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

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