[email protected]
CAS 933047-49-5 4,4′,4”,4”’-(1,3,6,8-pyrenetetrayl)tetrakis-, 1,1′,1”,1”’-tetramethyl ester molecular structure lightbox
CAS RN: 933047-49-5

4,4′,4”,4”’-(1,3,6,8-pyrenetetrayl)tetrakis-, 1,1′,1”,1”’-tetramethyl ester

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100mg In stock Shanghai Inquiry
Batchno.20250817 100mg In stock Shanghai Inquiry
Batchno.20250219 25mg In stock Shanghai Inquiry
Batchno.20250710 50mg In stock Shanghai Inquiry
  • Product code: LINP887163
GET A QUOTE

933047-49-5 / methyl 4-[3,6,8-tris(4-methoxycarbonylphenyl)pyren-1-yl]benzoate

Standard CAS: 933047-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933047-49-5
Multi CAS
No
Molecular Formula
C48H34O8
Molecular Weight
738.800000
Exact Mass
738.225368
InChI
InChI=1S/C48H34O8/c1-53-45(49)31-13-5-27(6-14-31)39-25-40(28-7-15-32(16-8-28)46(50)54-2)36-23-24-38-42(30-11-19-34(20-12-30)48(52)56-4)26-41(37-22-21-35(39)43(36)44(37)38)29-9-17-33(18-10-29)47(51)55-3/h5-26H,1-4H3
InChIKey
KOSQJXUTAMHQII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
40
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
217.25
TPSA
105.2

LogP / Solubility

WLOGP
10.4
MLOGP
9.22
XLogP3
10.9
Consensus LogP
10.17
Log S (ESOL)
-10.97
Class (ESOL)
Insoluble
Log S (Ali)
-13.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.16

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
6.5

Customers Also Viewed

Get In Touch

Contact Us