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CAS 122965-43-9 Methylene Blue Hydrate molecular structure lightbox
CAS RN: 122965-43-9

Methylene Blue Hydrate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250511 1kg In stock Shanghai Inquiry
Batchno.20251225 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250902 500g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-026666
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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: ≥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 122965-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

122965-43-9 / [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;hydrate

Standard CAS: 122965-43-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122965-43-9
Multi CAS
No
Molecular Formula
C16H20ClN3OS
Molecular Weight
337.900000
Exact Mass
337.101561
SMILES
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.[Cl-]
InChI
InChI=1S/C16H18N3S.ClH.H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;/h5-10H,1-4H3;1H;1H2/q+1;;/p-1
InChIKey
WQVSELLRAGBDLX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.3
TPSA
50.64

LogP / Solubility

WLOGP
-1.32
MLOGP
-1.15
XLogP3
-1.32
Consensus LogP
-1.26
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.72

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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