[email protected]
CAS 1196107-75-1 2-Bromo-13,13-dimethyl-6,11-di(naphthalen-2-yl)-13H-indeno[1,2-b]anthracene molecular structure lightbox
CAS RN: 1196107-75-1

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

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 200mg / 1g Out of stock 30 business days Inquiry
  • Product code: SSC-020159
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1196107-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1196107-75-1 / 7-bromo-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

2-bromo-13,13-dimethyl-6,11-di(naphthalen-2-yl)-13h-indeno[1,2-b]anthracene | MFCD28048411 | 2-bromo-13,13-dimethyl-6,11-di-2-naphthalenyl-13H-Indeno[1,2-b]anthracene

Standard CAS: 1196107-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196107-75-1
Multi CAS
No
Molecular Formula
C43H29Br
Molecular Weight
625.600000
Exact Mass
624.145260
SMILES
CC1(C2=CC3=C(C4=CC=CC=C4C(=C3C=C2C5=C1C=C(C=C5)Br)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8)C
InChI
InChI=1S/C43H29Br/c1-43(2)39-23-32(44)19-20-33(39)36-24-37-38(25-40(36)43)42(31-18-16-27-10-4-6-12-29(27)22-31)35-14-8-7-13-34(35)41(37)30-17-15-26-9-3-5-11-28(26)21-30/h3-25H,1-2H3
InChIKey
CERVAJOMYJBUAB-UHFFFAOYSA-N
Synonyms
2-bromo-13,13-dimethyl-6,11-di(naphthalen-2-yl)-13h-indeno[1,2-b]anthracene MFCD28048411 2-bromo-13,13-dimethyl-6,11-di-2-naphthalenyl-13H-Indeno[1,2-b]anthracene 13H-Indeno[1,2-b]anthracene, 2-bromo-13,13-dimethyl-6,11-di-2-naphthalenyl- 2-[2-bromo-13,13-dimethyl-6-(naphthalen-2-yl)-13H-indeno[1,2-b]anthracen-11-yl]naphthalene

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
40
Fraction Csp3
0.07
Rotatable bonds
2
Molar refractivity
192.6
TPSA
0.0000

LogP / Solubility

WLOGP
12.7
MLOGP
11.23
XLogP3
13.4
Consensus LogP
12.44
Log S (ESOL)
-12.26
Class (ESOL)
Insoluble
Log S (Ali)
-13.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us