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CAS 1187925-30-9 Carabrolactone A molecular structure lightbox
CAS RN: 1187925-30-9

Carabrolactone A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1187925-30-9
  • Purity/Analytical Methods: >99.0%
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1187925-30-9 / (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one

Carabrolactone A | RefChem:918005 | CHEMBL1644110

Standard CAS: 1187925-30-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187925-30-9
Multi CAS
Yes
Molecular Formula
C15H22O5
Molecular Weight
282.330000
Exact Mass
282.146724
SMILES
C[C@H]1[C@H]2C[C@@H]3[C@](O3)([C@H](C[C@@H]4[C@](O4)(C[C@@H]2OC1=O)C)O)C
InChI
InChI=1S/C15H22O5/c1-7-8-4-12-15(3,20-12)10(16)5-11-14(2,19-11)6-9(8)18-13(7)17/h7-12,16H,4-6H2,1-3H3
InChIKey
CFCZKBUBOFFSDG-UHFFFAOYSA-N
Synonyms
Carabrolactone A RefChem:918005 CHEMBL1644110

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.95
TPSA
71.59

LogP / Solubility

WLOGP
1.02
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

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
7.5

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