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CAS 74174-44-0 28-Homobrassinolide molecular structure lightbox
CAS RN: 74174-44-0

28-Homobrassinolide

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251201 1g In stock Inquiry
Batchno.20251013 250mg In stock Inquiry
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  • Product code: starshine_CAS74174-44-0
  • Purity/Analytical Methods: >99.0%
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74174-44-0 / 15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

Standard CAS: 74174-44-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
74174-44-0
Multi CAS
Yes
Molecular Formula
C29H50O6
Molecular Weight
494.700000
Exact Mass
494.360739
InChI
InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3
InChIKey
HJIKODJJEORHMZ-UHFFFAOYSA-N

Physical Properties

Melting Point
269 - 270 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.97
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
134.14
TPSA
107.22

LogP / Solubility

WLOGP
3.78
MLOGP
3.36
XLogP3
5.2
Consensus LogP
4.11
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5

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