[email protected]
CAS 1831056-76-8 7-(4-(9-phenyl-9H-carbazol-2-yl)quinazolin-2-yl)-7H-dibenzo[c,g]carbazole molecular structure lightbox
CAS RN: 1831056-76-8

7-(4-(9-phenyl-9H-carbazol-2-yl)quinazolin-2-yl)-7H-dibenzo[c,g]carbazole

  • Product code: SSC-084709
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 1831056-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1831056-76-8 / 12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Standard CAS: 1831056-76-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1831056-76-8
Multi CAS
No
Molecular Formula
C46H28N4
Molecular Weight
636.700000
Exact Mass
636.231397
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=NC(=NC6=CC=CC=C65)N7C8=C(C9=CC=CC=C9C=C8)C1=C7C=CC2=CC=CC=C21
InChI
InChI=1S/C46H28N4/c1-2-14-32(15-3-1)49-39-21-11-9-18-35(39)36-25-22-31(28-42(36)49)45-37-19-8-10-20-38(37)47-46(48-45)50-40-26-23-29-12-4-6-16-33(29)43(40)44-34-17-7-5-13-30(34)24-27-41(44)50/h1-28H
InChIKey
JRKCXOKEEAMOQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
50
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
208.66
TPSA
35.64

LogP / Solubility

WLOGP
11.8
MLOGP
10.43
XLogP3
12.2
Consensus LogP
11.48
Log S (ESOL)
-11.76
Class (ESOL)
Insoluble
Log S (Ali)
-13.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.95
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)
1.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us