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CAS 6104-71-8 N-Desmethylclozapine molecular structure lightbox
CAS RN: 6104-71-8

N-Desmethylclozapine

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250319 250mg In stock Shenzhen Inquiry
Batchno.20251216 25mg In stock Shanghai Inquiry
Batchno.20250317 50mg In stock Shanghai Inquiry
  • Product code: SSC-169800
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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: 0.25g
  • 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 6104-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

6104-71-8 / 8-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

Standard CAS: 6104-71-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6104-71-8
Multi CAS
Yes
Molecular Formula
C17H17CLN4
Molecular Weight
312.800000
Exact Mass
312.114174
InChI
InChI=1S/C17H17ClN4/c18-12-5-6-14-13(11-12)17(22-9-7-19-8-10-22)21-16-4-2-1-3-15(16)20-14/h1-6,11,19-20H,7-10H2
InChIKey
GQVFWRFJTBMMMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.82
TPSA
39.66

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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