CAS RN: 427-77-0

Gibberellin A9

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS427-77-0
  • Purity/Analytical Methods: >99.0%
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427-77-0 / (1R,2R,5R,8R,9S,10R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Standard CAS: 427-77-0 Multi CAS: Yes

Basic Information

CAS
427-77-0
Multi CAS
Yes
Molecular Formula
C19H24O4
Molecular Weight
316.400000
Exact Mass
316.167459
InChI
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17?,18+,19-/m1/s1
InChIKey
MHVYWTXXZIFXDT-MMZROTCTSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.42
TPSA
63.6

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.7
Consensus LogP
2.89
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

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