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CAS 886990-00-7 Neobritannilactone B molecular structure lightbox
CAS RN: 886990-00-7

Neobritannilactone B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS886990-00-7
  • Purity/Analytical Methods: >99.0%
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886990-00-7 / 4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Standard CAS: 886990-00-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886990-00-7
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3
InChIKey
PDEJECFRCJOMEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.53
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.88
TPSA
46.53

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
1.1
Consensus LogP
1.95
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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