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CAS 27664-65-9 (6E,10E,12E,14Z,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene molecular structure lightbox
CAS RN: 27664-65-9

(6E,10E,12E,14Z,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS27664-65-9
  • Purity/Analytical Methods: >99.0%
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27664-65-9 / 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

Standard CAS: 27664-65-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27664-65-9
Multi CAS
Yes
Molecular Formula
C40H62
Molecular Weight
542.900000
Exact Mass
542.485152
InChI
InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3
InChIKey
OVSVTCFNLSGAMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.5
Rotatable bonds
19
Molar refractivity
185.85
TPSA
0.0000

LogP / Solubility

WLOGP
13.61
MLOGP
12.02
XLogP3
15.4
Consensus LogP
13.68
Log S (ESOL)
-10.53
Class (ESOL)
Insoluble
Log S (Ali)
-13.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.63

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
4

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