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CAS 99576-15-5 Acid Black 210 molecular structure lightbox
CAS RN: 99576-15-5

Acid Black 210

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251217 100g Out of stock Inquiry
  • Product code: starshine_CAS99576-15-5
  • Purity/Analytical Methods: >99.0%
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99576-15-5 / dipotassium;5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate

Standard CAS: 99576-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99576-15-5
Multi CAS
Yes
Molecular Formula
C34H25K2N11O11S3
Molecular Weight
938.000000
Exact Mass
937.017127
InChI
InChI=1S/C34H27N11O11S3.2K/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2
InChIKey
ZEEMBOPWDPAXAI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
34
Rotatable bonds
12
H-bond acceptors
20
H-bond donors
5
Molar refractivity
210.54
TPSA
376.16

LogP / Solubility

WLOGP
1.06
MLOGP
1.02
XLogP3
1.06
Consensus LogP
1.05
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.69

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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