CAS RN: 118101-72-7
Prehelminthosporolactone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS118101-72-7
- Purity/Analytical Methods: >99.0%
118101-72-7 / (1R,3R,7S,8S,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-4-one
CHEBI:201614 | TEA10172
Basic Information
CAS
118101-72-7
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
SMILES
CC(C)[C@H]1CC[C@@]2([C@@H]3[C@H]1[C@H](C2=C)C(=O)OC3)C
InChI
InChI=1S/C15H22O2/c1-8(2)10-5-6-15(4)9(3)12-13(10)11(15)7-17-14(12)16/h8,10-13H,3,5-7H2,1-2,4H3/t10-,11+,12+,13+,15+/m1/s1
InChIKey
YRJUYCPYOZTNDX-MCZMQQNQSA-N
Synonyms
CHEBI:201614
TEA10172
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
66.24
TPSA
26.3
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3.6
Consensus LogP
3.1
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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
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
8
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