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CAS 314-13-6 Evans Blue molecular structure lightbox
CAS RN: 314-13-6

Evans Blue

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250420 100g In stock Shanghai Inquiry
Batchno.20250223 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260103 25g In stock Shanghai Inquiry
Batchno.20251113 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-136761
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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 314-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

314-13-6 / tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate

Standard CAS: 314-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
314-13-6
Multi CAS
Yes
Molecular Formula
C34H24N6NA4O14S4
Molecular Weight
960.800000
Exact Mass
959.982411
InChI
InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey
ATNOAWAQFYGAOY-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
9
H-bond acceptors
20
H-bond donors
4
Molar refractivity
201.61
TPSA
370.74

LogP / Solubility

WLOGP
-6.68
MLOGP
-5.79
XLogP3
-6.68
Consensus LogP
-6.38
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.33

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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