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CAS 1196107-73-9 2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione molecular structure lightbox
CAS RN: 1196107-73-9

2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-020158
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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: 10g
  • Available purity: ≥98%
  • 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 1196107-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

1196107-73-9 / 7-bromo-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-dione

2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione | DTXSID10728900 | 2-Bromo-13,13-dimethyl-6H-indeno(1,2-b)anthracene-6,11(13H)-dione

Standard CAS: 1196107-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196107-73-9
Multi CAS
No
Molecular Formula
C23H15BrO2
Molecular Weight
403.300000
Exact Mass
402.025540
SMILES
CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C
InChI
InChI=1S/C23H15BrO2/c1-23(2)19-9-12(24)7-8-13(19)16-10-17-18(11-20(16)23)22(26)15-6-4-3-5-14(15)21(17)25/h3-11H,1-2H3
InChIKey
NREMKCAHBDRWFB-UHFFFAOYSA-N
Synonyms
2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione DTXSID10728900 2-Bromo-13,13-dimethyl-6H-indeno(1,2-b)anthracene-6,11(13H)-dione RefChem:1062434 DTXCID50679644

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.13
H-bond acceptors
2
Molar refractivity
105.01
TPSA
34.14

LogP / Solubility

WLOGP
5.53
MLOGP
4.89
XLogP3
6.1
Consensus LogP
5.51
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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