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CAS 545-97-1 gibberellin A1 molecular structure lightbox
CAS RN: 545-97-1

gibberellin A1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS545-97-1
  • Purity/Analytical Methods: >99.0%
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545-97-1 / (2R,5R,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Standard CAS: 545-97-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
545-97-1
Multi CAS
Yes
Molecular Formula
C19H24O6
Molecular Weight
348.400000
Exact Mass
348.157288
InChI
InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17?,18-,19?/m1/s1
InChIKey
JLJLRLWOEMWYQK-MCDMURCVSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
85.27
TPSA
104.06

LogP / Solubility

WLOGP
1.25
MLOGP
1.12
XLogP3
0.2
Consensus LogP
0.86
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96

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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