CAS RN: 50428-93-8
Methyl 2alpha-hydroxyhardwickiate
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.20260517 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS50428-93-8
- Purity/Analytical Methods: >99.0%
50428-93-8 / methyl 5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
Basic Information
CAS
50428-93-8
Multi CAS
Yes
Molecular Formula
C21H30O4
Molecular Weight
346.500000
Exact Mass
346.214409
InChI
InChI=1S/C21H30O4/c1-14-5-8-21(3)17(19(23)24-4)11-16(22)12-18(21)20(14,2)9-6-15-7-10-25-13-15/h7,10-11,13-14,16,18,22H,5-6,8-9,12H2,1-4H3/t14-,16+,18-,20+,21+/m1/s1
InChIKey
JSKOGQSOLMLOJZ-SIPBKJAZSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.85
TPSA
59.67
LogP / Solubility
WLOGP
4.13
MLOGP
3.66
XLogP3
4.7
Consensus LogP
4.16
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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- Product Code: starshine_CAS50438-47-6
- Purity/Analytical method: >99.0%
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