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CAS 531-57-7 AZURE C molecular structure lightbox
CAS RN: 531-57-7

AZURE C

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Hebei Inquiry
  • Product code: SSC-160299
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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: 1g
  • 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 531-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

531-57-7 / 7-methyliminophenothiazin-3-amine;hydrochloride

Standard CAS: 531-57-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-57-7
Multi CAS
Yes
Molecular Formula
C13H12CLN3S
Molecular Weight
277.770000
Exact Mass
277.044046
InChI
InChI=1S/C13H11N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7H,14H2,1H3;1H
InChIKey
DDGMDTGNGDOUPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.08
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.39
TPSA
51.27

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.94
Consensus LogP
2.82
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.33

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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