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CAS 302929-56-2 2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine molecular structure lightbox
CAS RN: 302929-56-2

2,3,16,17-tetrabromo-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260127 100mg Out of stock Inquiry
Batchno.20250102 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251019 1g Out of stock Inquiry
Batchno.20260513 250mg Out of stock Inquiry
  • Product code: starshine_CAS302929-56-2
  • Purity/Analytical Methods: >99.0%
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302929-56-2 / 14,15,30,31-tetrabromo-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene

Standard CAS: 302929-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302929-56-2
Multi CAS
No
Molecular Formula
C24H28BR4O8
Molecular Weight
764.100000
Exact Mass
763.847670
InChI
InChI=1S/C24H28Br4O8/c25-17-13-21-22(14-18(17)26)35-11-7-31-3-4-32-8-12-36-24-16-20(28)19(27)15-23(24)34-10-6-30-2-1-29-5-9-33-21/h13-16H,1-12H2
InChIKey
LHHOBWJONQINII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.5
H-bond acceptors
8
Molar refractivity
148.94
TPSA
73.84

LogP / Solubility

WLOGP
6.03
MLOGP
5.38
XLogP3
5.5
Consensus LogP
5.64
Log S (ESOL)
-8.62
Class (ESOL)
Insoluble
Log S (Ali)
-10.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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