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CAS 329216-67-3 Quetiapine Hydroxy Impurity molecular structure lightbox
CAS RN: 329216-67-3

Quetiapine Hydroxy Impurity

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-138713
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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 329216-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

329216-67-3 / 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol

Standard CAS: 329216-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329216-67-3
Multi CAS
No
Molecular Formula
C19H21N3OS
Molecular Weight
339.500000
Exact Mass
339.140533
InChI
InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2
InChIKey
OFLMIXVKBNAUIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.3
TPSA
39.07

LogP / Solubility

WLOGP
2.84
MLOGP
2.52
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.77

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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