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CAS 3625-57-8 CI 51180 molecular structure lightbox
CAS RN: 3625-57-8

CI 51180

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251224 100ml In stock Shandong Inquiry
Batchno.20250818 500ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260404 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-143418
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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: 5g
  • 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 3625-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

3625-57-8 / (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium sulfate

Standard CAS: 3625-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3625-57-8
Multi CAS
Yes
Molecular Formula
C20H20N3O5S
Molecular Weight
414.500000
Exact Mass
414.112367
InChI
InChI=1S/2C20H19N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12,21H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKey
QIRDPEPUXNCOLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
109.38
TPSA
135.32

LogP / Solubility

WLOGP
2.14
MLOGP
1.91
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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