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CAS 56407-87-5 TetrahydrolachnophylluM lactone molecular structure lightbox
CAS RN: 56407-87-5

TetrahydrolachnophylluM lactone

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Batchno.20250928 5mg Out of stock Inquiry
  • Product code: starshine_CAS56407-87-5
  • Purity/Analytical Methods: >99.0%
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56407-87-5 / 5-hex-2-ynyloxolan-2-one

Standard CAS: 56407-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56407-87-5
Multi CAS
Yes
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
InChI
InChI=1S/C10H14O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-3,6-8H2,1H3
InChIKey
LNUHHJBOQMXWQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.42
TPSA
26.3

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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