CAS RN: 577-27-5
LEDOL
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS577-27-5
- Purity/Analytical Methods: >99.0%
577-27-5 / (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
Basic Information
CAS
577-27-5
Multi CAS
Yes
Molecular Formula
C15H26O
Molecular Weight
222.370000
Exact Mass
222.198365
InChI
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1
InChIKey
AYXPYQRXGNDJFU-AOWZIMASSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66
TPSA
20.23
LogP / Solubility
WLOGP
3.47
MLOGP
3.05
XLogP3
3.7
Consensus LogP
3.41
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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