![CAS 34532-67-7 (3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isobutyryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34532-67-7.gif)
CAS RN: 34532-67-7
(3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isobutyryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260103 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS34532-67-7
- Purity/Analytical Methods: >99.0%
34532-67-7 / (1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylpropanoate
Basic Information
CAS
34532-67-7
Multi CAS
Yes
Molecular Formula
C19H26O5
Molecular Weight
334.400000
Exact Mass
334.178024
InChI
InChI=1S/C19H26O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,9-13,15-16H,8H2,1-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
InChIKey
WKUOPGZYLRFCHJ-APDQSUQKSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.74
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
86.78
TPSA
69.67
LogP / Solubility
WLOGP
2.53
MLOGP
2.25
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6
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