[email protected]
CAS 28407-37-6 tetrasodium [mu-[[3,3′-[(3,3′-dihydroxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-) molecular structure lightbox
CAS RN: 28407-37-6

tetrasodium [mu-[[3,3′-[(3,3′-dihydroxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)

Product Availability

Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251227 1g In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS28407-37-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

28407-37-6 / tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate;copper

Standard CAS: 28407-37-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28407-37-6
Multi CAS
Yes
Molecular Formula
C32H20CU2N6NA4O16S4
Molecular Weight
1091.900000
Exact Mass
1089.800135
InChI
InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;;;4*+1/p-4
InChIKey
UIECJCJNZREJPJ-UHFFFAOYSA-J

Physical Properties

Physical Description
C.i. direct blue 218 is a deep purple to dark blue amorphous powder. (NTP, 1992) Liquid Deep purple to dark blue solid; [CAMEO]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
32
Rotatable bonds
9
H-bond acceptors
22
H-bond donors
6
Molar refractivity
195.46
TPSA
411.2

LogP / Solubility

WLOGP
-7.9
MLOGP
-6.84
XLogP3
-7.9
Consensus LogP
-7.55
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.28
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)
-14.99

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

Customers Also Viewed

Get In Touch

Contact Us