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CAS 25961-11-9 5-Acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine molecular structure lightbox
CAS RN: 25961-11-9

5-Acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260120 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260519 100g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260330 1g In stock Shanghai Inquiry
Batchno.20251204 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260301 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-122694
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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: ≥97%
  • 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 25961-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

25961-11-9 / 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

Standard CAS: 25961-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25961-11-9
Multi CAS
No
Molecular Formula
C16H14ClNO
Molecular Weight
271.740000
Exact Mass
271.076392
SMILES
CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
InChIKey
NMZOSOMVILZBJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
H-bond acceptors
1
Molar refractivity
78.12
TPSA
20.31

LogP / Solubility

WLOGP
4.12
MLOGP
3.64
XLogP3
3.8
Consensus LogP
3.85
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

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