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CAS 1256579-06-2 9-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile molecular structure lightbox
CAS RN: 1256579-06-2

9-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile

  • Product code: SSC-030555
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1256579-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Beijing Inquiry

1256579-06-2 / 9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

Standard CAS: 1256579-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256579-06-2
Multi CAS
No
Molecular Formula
C19H13BrN2O2
Molecular Weight
381.200000
Exact Mass
380.016040
SMILES
CC1(C2=CC(=C(C=C2C(=O)C3=C1NC4=C3C=CC(=C4)C#N)Br)O)C
InChI
InChI=1S/C19H13BrN2O2/c1-19(2)12-7-15(23)13(20)6-11(12)17(24)16-10-4-3-9(8-21)5-14(10)22-18(16)19/h3-7,22-23H,1-2H3
InChIKey
FTLQDYMGJVZZLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.16
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.38
TPSA
76.88

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.22
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

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

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