CAS RN: 4728-30-7
ent-Isopimara-8(14),15-diene-3β-ol
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.20250425 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS4728-30-7
- Purity/Analytical Methods: >99.0%
4728-30-7 / 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
Basic Information
CAS
4728-30-7
Multi CAS
Yes
Molecular Formula
C20H32O
Molecular Weight
288.500000
Exact Mass
288.245316
InChI
InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m0/s1
InChIKey
ATQOOBSXQVRQPY-VDWQKOAOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.96
TPSA
20.23
LogP / Solubility
WLOGP
5.11
MLOGP
4.51
XLogP3
5.5
Consensus LogP
5.04
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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