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CAS 23847-08-7 CAPROLACTAMDISULFIDE molecular structure lightbox
CAS RN: 23847-08-7

CAPROLACTAMDISULFIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-116319
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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 23847-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

23847-08-7 / 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one

Standard CAS: 23847-08-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23847-08-7
Multi CAS
No
Molecular Formula
C12H20N2O2S2
Molecular Weight
288.400000
Exact Mass
288.096620
SMILES
C1CCC(=O)N(CC1)SSN2CCCCCC2=O
InChI
InChI=1S/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2
InChIKey
LGBYJXBCVZKJBL-UHFFFAOYSA-N

Physical Properties

Physical Description
Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
75.54
TPSA
40.62

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
1.9
Consensus LogP
2.52
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

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

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