[email protected]
CAS 7441-32-9 IICRGUKQYYOPIG-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 7441-32-9

IICRGUKQYYOPIG-UHFFFAOYSA-N

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260302 1mg In stock Inquiry
Batchno.20250828 5mg In stock Inquiry
  • Product code: starshine_CAS7441-32-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7441-32-9 / 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone

Standard CAS: 7441-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7441-32-9
Multi CAS
No
Molecular Formula
C30H24O12
Molecular Weight
576.500000
Exact Mass
576.126776
InChI
InChI=1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2
InChIKey
IICRGUKQYYOPIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.2
H-bond acceptors
12
Molar refractivity
141.02
TPSA
157.8

LogP / Solubility

WLOGP
3.04
MLOGP
2.72
XLogP3
4.2
Consensus LogP
3.32
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble

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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us